A0A061AKS9_CAEEL Loading...

Chitin-binding type-2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKS9, Species CAEEL (Caenorhabditis elegans), Gene pqn-74, Length 277 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low40.4Very low213 Ų213162.9 Ų162.9100%1.04981%0.814SS**  0115.30-63.8178.3-141.800106.7F3M1-F3 HydrophobicContact CB-CE2 3.86Å; M1-F3 HydrophobicContact CB-CZ 3.84Å; M1-F3 HydrophobicContact SD-CZ 4.26Å
2Q36.1Very low40.9Very low200 Ų200155.4 Ų155.494%0.93579%0.786SS**PPolyproline II helixtrans-95.6124.9173.7-76.9169.8-3.300106.6
3F38.2Very low41.9Very low170 Ų170160.7 Ų160.775%0.74679%0.79SS**PPolyproline II helixtrans-103.6122.8175.9-58.7-83000107.7M1M1-F3 HydrophobicContact CB-CE2 3.86Å; M1-F3 HydrophobicContact CB-CZ 3.84Å; M1-F3 HydrophobicContact SD-CZ 4.26Å
4L37.6Very low42.7Very low171 Ų171162.6 Ų162.690%0.89580%0.796SS**PPolyproline II helixtrans-88.4117.2167.9-15590.6000106.3
5V40.3Very low43.6Very low136 Ų136155 Ų15582%0.82477%0.765SS**PPolyproline II helixtrans-97118.3179.2-179.20000107.6
6E44.2Very low44.3Very low172 Ų172150 Ų15080%0.80476%0.756SS**PPolyproline II helixtrans-102.8120.7176.5-154.7174.5159.500109T8E6-T8 PolarHBondContact O-N 2.86Å
7E39.8Very low45.1Very low138 Ų138144.3 Ų144.365%0.64573%0.733SS**  trans-75.8100.8-175.5-173.6-176.313500110.2R9E7-R9 HydrophobicContact CG-CG 4.23Å; E7-R9 PolarHBondContact O-N 3.45Å; E7-R9 WeakPolarHBondContact OE1-CG 3.46Å; E7-R9 IonicContact OE1-CZ 3.72Å; E7-R9 IonicContact OE1-NE 2.82Å; E7-R9 PolarHBondContact OE1-NE 2.92Å; E7-R9 IonicContact OE1-NH2 3.82Å
8T41.1Very low45.7Very low132 Ų132142.3 Ų142.381%0.8173%0.731SS**  trans-84.4100.4171.7-47.60000109E6 E10E6-T8 PolarHBondContact O-N 2.86Å; T8-E10 PolarHBondContact O-N 3.08Å
9R39.6Very low45.6Very low215 Ų215142.2 Ų142.281%0.81173%0.732SS**  trans-77.495173.6-77.5-176162.5-161.4-11.2110.6E7E7-R9 HydrophobicContact CG-CG 4.23Å; E7-R9 PolarHBondContact O-N 3.45Å; E7-R9 WeakPolarHBondContact OE1-CG 3.46Å; E7-R9 IonicContact OE1-CZ 3.72Å; E7-R9 IonicContact OE1-NE 2.82Å; E7-R9 PolarHBondContact OE1-NE 2.92Å; E7-R9 IonicContact OE1-NH2 3.82Å
10E44.5Very low46Very low164 Ų164137.3 Ų137.377%0.76672%0.718SS**PPolyproline II helixtrans-74.8125.1165.7-163.1170.8131.100109.4T8T8-E10 PolarHBondContact O-N 3.08Å
11A43.1Very low46.5Very low81 Ų81139.4 Ų139.467%0.66973%0.725SS**PPolyproline II helixtrans-67.8135-176.500000111.3R13A11-R13 PolarHBondContact O-N 2.74Å
12P47.2Very low47.2Very low73 Ų73138.2 Ų138.247%0.47472%0.716SS.*PPolyproline II helixtrans-65132.3-178.423.5-30.9000111.6Q14P12-Q14 PolarHBondContact O-N 3.01Å
13R53Low47.9Very low224 Ų224134 Ų13485%0.84570%0.7SS**SBendtrans-68.3113.6176.8-67.7-167.8175.5-160.9-0.5110.4A11A11-R13 PolarHBondContact O-N 2.74Å
14Q53.2Low48.7Very low187 Ų187128.2 Ų128.287%0.87468%0.68SS**  trans51.5101162.1-63.3179.8-2.100116.8P12P12-Q14 PolarHBondContact O-N 3.01Å
15C57.1Low49.6Very low49 Ų49125.5 Ų125.533%0.33167%0.671SS.*  trans-79.4139.8170.3-49.40000111.4C24 C26C15-C24 HydrophobicContact CB-CB 4.28Å; C15-C26 HydrophobicContact CB-CB 4.05Å; C15-C26 WeakPolarHBondContact CB-SG 3.34Å; C15-C26 WeakPolarHBondContact SG-CB 2.92Å; C15-C26 CovalentContact SG-SG 2.03Å; C15-C26 PolarHBondContact SG-SG 2.84Å
16A54Low50.2Low75 Ų75122 Ų12262%0.6265%0.651SS**BIsolated β-bridgetrans-93.5126.2172.600000110.4P18A16-P18 WeakPolarHBondContact O-CD 2.98Å
17C58.9Low50.4Low53 Ų53118.2 Ų118.236%0.35864%0.642SS.*  trans-121.590.3-175-45.60000110.3N19 C24C17-N19 VanDerWaalsContact C-N 3.29Å; C17-N19 PolarHBondContact O-N 3.36Å; C17-C24 HydrophobicContact CB-CB 4.06Å; C17-C24 WeakPolarHBondContact CB-SG 3.49Å; C17-C24 WeakPolarHBondContact SG-CB 3.03Å; C17-C24 CovalentContact SG-SG 2.02Å; C17-C24 PolarHBondContact SG-SG 1.99Å
18P54.9Low50.8Low108 Ų108116.7 Ų116.770%0.70165%0.646SS**THydrogen-bonded Turntrans-74.8-9.4-172.725.3-31.2000115.1A16A16-P18 WeakPolarHBondContact O-CD 2.98Å
19N45Very low51.1Low141 Ų141114.2 Ų114.275%0.75463%0.632SS**THydrogen-bonded Turntrans-134.939.7-179.6-77.6-34.2000113.1C17C17-N19 VanDerWaalsContact C-N 3.29Å; C17-N19 PolarHBondContact O-N 3.36Å
20G52Low51.6Low44 Ų44112.4 Ų112.445%0.45463%0.633SS.*SBendtrans80.8170.4-17600000113.6Q22 N23G20-Q22 PolarHBondContact O-N 2.89Å; G20-N23 PolarHBondContact O-N 2.99Å
21E56.6Low51.6Low182 Ų182110.8 Ų110.885%0.8563%0.628SS**G310 helixtrans-59.8-12.2-167.2-63.5-172.5141.200115.2
22Q55.1Low51.4Low187 Ų187114.3 Ų114.387%0.87464%0.635SS**G310 helixtrans-84.4-8.5-176.2-67.3-71.5-18.500114.1G20G20-Q22 PolarHBondContact O-N 2.89Å
23N49.9Very low51.2Low113 Ų113118.6 Ų118.660%0.60465%0.649SS**G310 helixtrans-140.247.8-175.8-142.817.5000113.2G20G20-N23 PolarHBondContact O-N 2.99Å
24C56.3Low50.3Low48 Ų48114.2 Ų114.232%0.32465%0.65SS.*  trans-77.6130.3176.4-57.30000110.9C15 C17C15-C24 HydrophobicContact CB-CB 4.28Å; C17-C24 HydrophobicContact CB-CB 4.06Å; C17-C24 WeakPolarHBondContact CB-SG 3.49Å; C17-C24 WeakPolarHBondContact SG-CB 3.03Å; C17-C24 CovalentContact SG-SG 2.02Å; C17-C24 PolarHBondContact SG-SG 1.99Å
25V56.2Low49.7Very low114 Ų114113.2 Ų113.269%0.69165%0.648SS**BIsolated β-bridgetrans-99.9101169.3-178.70000107.3
26C53.2Low48.9Very low61 Ų61116 Ų11641%0.41267%0.668SS.*PPolyproline II helixtrans-88.3129173.3-57.10000109.1C15 S28C15-C26 HydrophobicContact CB-CB 4.05Å; C15-C26 WeakPolarHBondContact CB-SG 3.34Å; C15-C26 WeakPolarHBondContact SG-CB 2.92Å; C15-C26 CovalentContact SG-SG 2.03Å; C15-C26 PolarHBondContact SG-SG 2.84Å; C26-S28 PolarHBondContact O-N 3.19Å; C26-S28 VanDerWaalsContact O-N 3.17Å
27P48.4Very low48.1Very low93 Ų93117.3 Ų117.360%0.60468%0.679SS**PPolyproline II helixtrans-65116.2167.926.1-30.1000108.7
28S48.4Very low47.4Very low106 Ų106120.7 Ų120.774%0.74170%0.698SS**PPolyproline II helixtrans-71.7132.8173.9-172.20000108.6C26 E30C26-S28 PolarHBondContact O-N 3.19Å; C26-S28 VanDerWaalsContact O-N 3.17Å; S28-E30 PolarHBondContact O-N 2.89Å
29P47.2Very low46.5Very low80 Ų80125.1 Ų125.152%0.51971%0.706SS.*PPolyproline II helixtrans-61.6127.4172.224.6-31000109I31P29-I31 PolarHBondContact O-N 3.41Å
30E48.9Very low46.7Very low178 Ų178128.6 Ų128.683%0.83272%0.715SS**  trans-81.297.6176.5-164.3169.8-167.800107.4S28 L32S28-E30 PolarHBondContact O-N 2.89Å; E30-L32 PolarHBondContact O-N 3.31Å
31I45.5Very low45.9Very low129 Ų129132.4 Ų132.466%0.66273%0.729SS**  trans-85.4106.4177.8-57.8170.1000107.1P29 E33P29-I31 PolarHBondContact O-N 3.41Å; I31-E33 HydrophobicContact CG2-CG 4.45Å; I31-E33 PolarHBondContact O-N 3.47Å
32L38.6Very low45.3Very low155 Ų155135.7 Ų135.781%0.81273%0.733SS**  trans-80.7112.4174.7-74.1163.1000109.6E30E30-L32 PolarHBondContact O-N 3.31Å
33E42.7Very low44.4Very low164 Ų164137.9 Ų137.977%0.76673%0.734SS**PPolyproline II helixtrans-95.6135.3174.4-62.6-176.4151.700111.2I31 I35I31-E33 HydrophobicContact CG2-CG 4.45Å; I31-E33 PolarHBondContact O-N 3.47Å; E33-I35 PolarHBondContact O-N 3Å
34P34.5Very low44.1Very low132 Ų132138.6 Ų138.686%0.85775%0.747SS**PPolyproline II helixtrans-76.6124.8178.927.5-30.8000112
35I40.3Very low43.3Very low165 Ų165140.5 Ų140.585%0.84677%0.766SS**PPolyproline II helixtrans-92.1120.5174.6-42.4173.8000109.1E33 A37E33-I35 PolarHBondContact O-N 3Å; I35-A37 PolarHBondContact O-N 3.01Å
36S39.6Very low42.5Very low107 Ų107143.9 Ų143.975%0.74878%0.775SS**  trans-79108.2178.3-172.10000111.5V38S36-V38 PolarHBondContact O-N 3.27Å
37A37.3Very low42Very low103 Ų103149.8 Ų149.885%0.85180%0.797SS**  trans-83.291.5175.400000110.9I35I35-A37 PolarHBondContact O-N 3.01Å
38V45.3Very low41.8Very low125 Ų125152.8 Ų152.876%0.75880%0.802SS**  trans-95.896.4164.5-149.50000108.6S36S36-V38 PolarHBondContact O-N 3.27Å
39K36.6Very low41.7Very low201 Ų201152.8 Ų152.887%0.87480%0.8SS**  trans-155.4111.9157.3-109.3167.9-167.9-177.60110.7V41K39-V41 PolarHBondContact O-N 3.46Å
40K47.3Very low41.9Very low213 Ų213154.1 Ų154.193%0.92680%0.802SS**  trans-57.9115.1173.4-71171.7176.1174.10109.9
41V35.5Very low42.1Very low124 Ų124153.9 Ų153.975%0.75279%0.793SS**  trans-127109.2158.2-179.80000108K39 R43K39-V41 PolarHBondContact O-N 3.46Å; V41-R43 PolarHBondContact O-N 3.41Å
42R44.6Very low42.6Very low251 Ų251151 Ų15195%0.94778%0.776SS**  trans-75.9104.6176-159.6-179.4-169-1742.5107.5
43R36.8Very low43.7Very low234 Ų234148.7 Ų148.788%0.88377%0.773SS**  trans-133.4110.1158.3-83.3-171.8-178.7176.60.7108.7V41 A45V41-R43 PolarHBondContact O-N 3.41Å; R43-A45 PolarHBondContact O-N 3.05Å
44S43.2Very low44.6Very low127 Ų127147.4 Ų147.489%0.88877%0.767SS**  trans-66.2106.1171.941.60000110.6
45A39Very low46Very low88 Ų88144.3 Ų144.373%0.72774%0.739SS**  trans-123.8118.9147.900000105.3R43 Q47R43-A45 PolarHBondContact O-N 3.05Å; A45-Q47 PolarHBondContact O-N 3Å
46Q40Very low47.4Very low185 Ų185140 Ų14086%0.86472%0.721SS**  trans-58.798.4179.7-74.4167-48.200109.5Q48Q46-Q48 VanDerWaalsContact C-N 3.27Å; Q46-Q48 PolarHBondContact O-N 3.47Å
47Q42.4Very low48.8Very low186 Ų186139.5 Ų139.587%0.86972%0.718SS**  trans-70.494.4156.3-73.6177.5-7.300105.8A45A45-Q47 PolarHBondContact O-N 3Å
48Q43.3Very low50.3Low156 Ų156136.4 Ų136.473%0.72969%0.69SS**  trans-60.4135.8165.8-68.7-171.94.800107.7Q46 L50Q46-Q48 VanDerWaalsContact C-N 3.27Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q48-L50 PolarHBondContact O-N 3.19Å
49P48.3Very low51.1Low105 Ų105136.2 Ų136.268%0.68269%0.691SS**  trans-58.8132.1171.224.2-31.4000108.8R51P49-R51 PolarHBondContact O-N 3.04Å
50L50.1Low52.4Low108 Ų108127.3 Ų127.357%0.56565%0.654SS**  trans-54.3110.9176.7-66.7169.1000108.9Q48 Q119Q48-L50 PolarHBondContact O-N 3.19Å; L50-Q119 HydrophobicContact CD1-CG 4.3Å; L50-Q119 HydrophobicContact CD2-CG 4.35Å; L50-Q119 VanDerWaalsContact CD2-OE1 3.3Å
51R53.8Low53.1Low174 Ų174120.9 Ų120.966%0.65763%0.634SS**  trans-87.7118.2174.7-69.9-107.7-174.1169.71107.4P49 S53 Q54P49-R51 PolarHBondContact O-N 3.04Å; R51-S53 PolarHBondContact O-N 3Å; R51-Q54 WeakPolarHBondContact O-CG 3.48Å
52F55.3Low54.1Low69 Ų69120.4 Ų120.430%0.30362%0.623SS.*G310 helixtrans-71.4-12177.3-67.5-88.7000113.4Q54 Y55 Q78 L80F52-Q54 PolarHBondContact O-N 2.8Å; F52-Q54 VanDerWaalsContact O-N 3.13Å; F52-Y55 PolarHBondContact O-N 2.81Å; F52-Q78 VanDerWaalsContact CB-CD 3.45Å; F52-Q78 HydrophobicContact CB-CG 4.1Å; F52-Q78 VanDerWaalsContact CB-OE1 3.26Å; F52-Q78 HydrophobicContact CD1-CB 4.38Å; F52-Q78 HydrophobicContact CD1-CG 4.09Å; F52-Q78 WeakPolarHBondContact CE1-O 3.45Å; F52-Q78 HydrophobicContact CG-CB 4.32Å; F52-Q78 HydrophobicContact CG-CG 4.06Å; F52-Q78 VanDerWaalsContact CZ-O 3.26Å; F52-Q78 WeakPolarHBondContact CZ-O 3.02Å; F52-L80 HydrophobicContact CD1-CD1 3.43Å; F52-L80 VanDerWaalsContact CD1-CD1 3.43Å; F52-L80 HydrophobicContact CE1-CD1 3.68Å
53S61.5Low54.7Low106 Ų106116 Ų11674%0.74162%0.619SS**G310 helixtrans-65.4-12.9-177.654.10000115.6R51R51-S53 PolarHBondContact O-N 3Å
54Q62.7Low55.7Low136 Ų136110 Ų11064%0.63660%0.601SS**G310 helixtrans-89.1-8.3179.334.7-177.890.300112.6R51 F52R51-Q54 WeakPolarHBondContact O-CG 3.48Å; F52-Q54 PolarHBondContact O-N 2.8Å; F52-Q54 VanDerWaalsContact O-N 3.13Å
55Y64.3Low56.3Low68 Ų68109 Ų10927%0.26759%0.591SS.*SBendtrans-106.2133.5179.1-63.9-82.4000110.7F52 T68 L80F52-Y55 PolarHBondContact O-N 2.81Å; Y55-T68 HydrophobicContact CD1-CG2 3.96Å; Y55-T68 HydrophobicContact CE1-CG2 3.97Å; Y55-L80 HydrophobicContact CD1-CD2 4.03Å; Y55-L80 HydrophobicContact CD1-CG 4.41Å; Y55-L80 HydrophobicContact CD2-CD1 3.72Å; Y55-L80 HydrophobicContact CD2-CD2 3.96Å; Y55-L80 HydrophobicContact CD2-CG 4.21Å; Y55-L80 HydrophobicContact CE1-CD2 3.74Å; Y55-L80 HydrophobicContact CE2-CD1 4.1Å; Y55-L80 HydrophobicContact CE2-CD2 3.65Å; Y55-L80 HydrophobicContact CE2-CG 4.39Å; Y55-L80 HydrophobicContact CG-CD1 4.05Å; Y55-L80 HydrophobicContact CG-CD2 4.12Å; Y55-L80 HydrophobicContact CG-CG 4.21Å
56P67.8Low57.3Low73 Ų73107.7 Ų107.747%0.47458%0.58SS.*PPolyproline II helixtrans-63.1151.217627.7-33.8000110.6C69 S70P56-C69 CarbonylContact O-C 3.6Å; P56-C69 WeakPolarHBondContact O-CA 2.94Å; P56-C69 WeakPolarHBondContact O-CB 3.31Å; P56-S70 PolarHBondContact O-N 2.02Å
57S69.4Low58.4Low97 Ų9799.5 Ų99.568%0.67854%0.543SS*.BIsolated β-bridgetrans-67.1136.5172-36.10000109.7S70S57-S70 WeakPolarHBondContact CA-O 3.45Å
58C68.7Low59.8Low39 Ų3993 Ų9326%0.26452%0.517SS..SBendtrans-63.8147172.2-530000110.3C69 S70C58-C69 VanDerWaalsContact CA-SG 3.57Å; C58-C69 HydrophobicContact CB-CB 3.97Å; C58-C69 WeakPolarHBondContact CB-SG 3.45Å; C58-C69 WeakPolarHBondContact SG-CB 3.36Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.07Å; C58-S70 PolarHBondContact N-O 2.91Å; C58-S70 VanDerWaalsContact N-O 3.09Å
59P62.3Low61Low121 Ų12185.6 Ų85.679%0.78648%0.482SS*.SBendcis-84.3146.6832-33.9000114.6
60C64.9Low62.2Low14 Ų1481 Ų8110%0.09545%0.452CS..PPolyproline II helixtrans-65147.7176.4-74.90000113.1C67 I83C60-C67 HydrophobicContact CB-CB 3.45Å; C60-C67 VanDerWaalsContact CB-CB 3.45Å; C60-C67 WeakPolarHBondContact CB-SG 3.39Å; C60-C67 WeakPolarHBondContact SG-CB 3.36Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.02Å; C60-I83 HydrophobicContact CB-CD1 4.44Å
61P60.5Low63.3Low77 Ų7778.8 Ų78.850%0.544%0.443SS..PPolyproline II helixtrans-63.9136.817326.1-32.5000110.8N63P61-N63 PolarHBondContact O-N 3.44Å
62Q56.5Low64.2Low114 Ų11474.7 Ų74.753%0.53343%0.434SS..THydrogen-bonded Turntrans-65.7-3.3-171.7-69-144.5-42.200116C102 C104Q62-C102 PolarHBondContact NE2-O 2.76Å; Q62-C104 PolarHBondContact NE2-SG 3.34Å
63N58.8Low64.5Low160 Ų16074.2 Ų74.286%0.85644%0.435SS*.THydrogen-bonded Turntrans-95.111.5-170-143.68.7000113.9P61P61-N63 PolarHBondContact O-N 3.44Å
64Q56.8Low64.4Low108 Ų10878.3 Ų78.351%0.50544%0.442SS..  trans-125135.9177.6-65.5-169.629.100111.3A66 C85Q64-A66 PolarHBondContact O-N 3.41Å; Q64-C85 WeakPolarHBondContact O-CB 3.41Å
65P55.9Low63.9Low104 Ų10479.2 Ų79.268%0.67545%0.446SS*.SBendtrans-68.7-22.1-178.127.5-34.4000113.1C85P65-C85 WeakPolarHBondContact CA-O 3.33Å; P65-C85 PolarHBondContact O-N 2.03Å
66A59.3Low63.8Low62 Ų6282 Ų8251%0.51247%0.466SS..EExtended strand (participates in β ladder)trans-146.6139170.500000109.4Q64 I83Q64-A66 PolarHBondContact O-N 3.41Å; A66-I83 CarbonylContact C-O 3.58Å; A66-I83 WeakPolarHBondContact CA-O 2.9Å
67C63.3Low63.4Low13 Ų1384.1 Ų84.19%0.08847%0.47CS..EExtended strand (participates in β ladder)trans-141.6139178167.40000111.1C60 S82 I83C60-C67 HydrophobicContact CB-CB 3.45Å; C60-C67 VanDerWaalsContact CB-CB 3.45Å; C60-C67 WeakPolarHBondContact CB-SG 3.39Å; C60-C67 WeakPolarHBondContact SG-CB 3.36Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.02Å; C67-S82 CarbonylContact O-C 3.57Å; C67-S82 WeakPolarHBondContact O-CA 3.44Å; C67-I83 PolarHBondContact N-O 2.01Å; C67-I83 PolarHBondContact O-N 2.66Å
68T71.9Confident62.9Low50 Ų5083.9 Ų83.931%0.30746%0.458SS..EExtended strand (participates in β ladder)trans-106.2120.8172.8-560000109.5Y55 L80 V81 S82Y55-T68 HydrophobicContact CD1-CG2 3.96Å; Y55-T68 HydrophobicContact CE1-CG2 3.97Å; T68-L80 HydrophobicContact CG2-CB 4.34Å; T68-L80 HydrophobicContact CG2-CD2 3.55Å; T68-L80 HydrophobicContact CG2-CG 3.83Å; T68-V81 CarbonylContact C-O 3.59Å; T68-V81 WeakPolarHBondContact CA-O 3.48Å; T68-S82 PolarHBondContact OG1-OG 2.84Å
69C68.9Low62.4Low0 Ų084.8 Ų84.80%046%0.46CS..EExtended strand (participates in β ladder)trans-126161.6-179.959.40000111.5P56 C58 L80 V81P56-C69 CarbonylContact O-C 3.6Å; P56-C69 WeakPolarHBondContact O-CA 2.94Å; P56-C69 WeakPolarHBondContact O-CB 3.31Å; C58-C69 VanDerWaalsContact CA-SG 3.57Å; C58-C69 HydrophobicContact CB-CB 3.97Å; C58-C69 WeakPolarHBondContact CB-SG 3.45Å; C58-C69 WeakPolarHBondContact SG-CB 3.36Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.07Å; C69-L80 CarbonylContact O-C 3.58Å; C69-L80 WeakPolarHBondContact O-CA 3.06Å; C69-V81 PolarHBondContact N-O 3.32Å; C69-V81 PolarHBondContact O-N 2.92Å
70S74.3Confident62.4Low8 Ų881.1 Ų81.16%0.05643%0.433CS..EExtended strand (participates in β ladder)trans-100.3139.8174.165.80000111.5P56 S57 C58 I79P56-S70 PolarHBondContact O-N 2.02Å; S57-S70 WeakPolarHBondContact CA-O 3.45Å; C58-S70 PolarHBondContact N-O 2.91Å; C58-S70 VanDerWaalsContact N-O 3.09Å; S70-I79 CarbonylContact C-O 3.49Å; S70-I79 VanDerWaalsContact CA-O 3.28Å; S70-I79 WeakPolarHBondContact CA-O 2.96Å
71T71.9Confident62.1Low61 Ų6182.6 Ų82.637%0.37444%0.442SS..EExtended strand (participates in β ladder)trans-144.5165.1173.4-167.20000110I79 V81T71-I79 HydrophobicContact CG2-CD1 4.11Å; T71-I79 HydrophobicContact CG2-CG1 3.87Å; T71-I79 PolarHBondContact N-O 3.29Å; T71-I79 VanDerWaalsContact O-CG1 3.23Å; T71-I79 WeakPolarHBondContact O-CG1 2.97Å; T71-I79 PolarHBondContact O-N 3.15Å; T71-V81 HydrophobicContact CG2-CG2 3.57Å
72N73.1Confident62.2Low88 Ų8882.2 Ų82.247%0.47144%0.44SS..EExtended strand (participates in β ladder)trans-93.2134.8174.7-68.5-29.7000110.6E77 Q78N72-E77 CarbonylContact C-O 3.54Å; N72-E77 WeakPolarHBondContact CA-O 3.26Å; N72-Q78 WeakPolarHBondContact OD1-CA 3.36Å
73N61Low62.5Low59 Ų5977.8 Ų77.832%0.31642%0.42SS..  trans-74.6174.6171.1-158-63.7000110.7Q75 N76 E77 I79N73-Q75 PolarHBondContact O-N 3.36Å; N73-Q75 VanDerWaalsContact O-N 3.13Å; N73-N76 WeakPolarHBondContact O-CA 3.33Å; N73-N76 PolarHBondContact O-N 2.94Å; N73-E77 PolarHBondContact N-O 2.89Å; N73-I79 HydrophobicContact CB-CD1 4.13Å; N73-I79 HydrophobicContact CB-CG1 4.42Å; N73-I79 HydrophobicContact CB-CG2 4.29Å
74Q59.3Low62.4Low193 Ų19374.6 Ų74.690%0.90241%0.41SS*.THydrogen-bonded Turntrans-60.5-19.8176.7-62.5-155.74.100114N76Q74-N76 VanDerWaalsContact C-N 3.29Å
75Q51.9Low62.2Low154 Ų15470 Ų7072%0.7239%0.39SS*.THydrogen-bonded Turntrans-9010172.8-66.1175-54.100113.1N73 E77N73-Q75 PolarHBondContact O-N 3.36Å; N73-Q75 VanDerWaalsContact O-N 3.13Å; Q75-E77 PolarHBondContact O-N 3.2Å
76N63.4Low61.7Low126 Ų12668.8 Ų68.867%0.67438%0.383SS*.SBendtrans62.223.4-178.7-151.337.6000114.9N73 Q74N73-N76 WeakPolarHBondContact O-CA 3.33Å; N73-N76 PolarHBondContact O-N 2.94Å; Q74-N76 VanDerWaalsContact C-N 3.29Å
77E59.4Low61.1Low119 Ų11975 Ų7556%0.55640%0.401SS*.  trans-89.8135.4173.4-74.6175.987.700111N72 N73 Q75 I79N72-E77 CarbonylContact C-O 3.54Å; N72-E77 WeakPolarHBondContact CA-O 3.26Å; N73-E77 PolarHBondContact N-O 2.89Å; Q75-E77 PolarHBondContact O-N 3.2Å; E77-I79 PolarHBondContact O-N 3.42Å
78Q57.8Low60Low91 Ų9183.4 Ų83.443%0.42544%0.44SS..EExtended strand (participates in β ladder)trans-75.3115.5179.8-156.3172.718.400109.5F52 N72F52-Q78 VanDerWaalsContact CB-CD 3.45Å; F52-Q78 HydrophobicContact CB-CG 4.1Å; F52-Q78 VanDerWaalsContact CB-OE1 3.26Å; F52-Q78 HydrophobicContact CD1-CB 4.38Å; F52-Q78 HydrophobicContact CD1-CG 4.09Å; F52-Q78 WeakPolarHBondContact CE1-O 3.45Å; F52-Q78 HydrophobicContact CG-CB 4.32Å; F52-Q78 HydrophobicContact CG-CG 4.06Å; F52-Q78 VanDerWaalsContact CZ-O 3.26Å; F52-Q78 WeakPolarHBondContact CZ-O 3.02Å; N72-Q78 WeakPolarHBondContact OD1-CA 3.36Å
79I58.4Low58.4Low59 Ų5989 Ų8930%0.30346%0.463SS..EExtended strand (participates in β ladder)trans-118152.6-17859.5162.4000110.7S70 T71 N73 E77 V81S70-I79 CarbonylContact C-O 3.49Å; S70-I79 VanDerWaalsContact CA-O 3.28Å; S70-I79 WeakPolarHBondContact CA-O 2.96Å; T71-I79 HydrophobicContact CG2-CD1 4.11Å; T71-I79 HydrophobicContact CG2-CG1 3.87Å; T71-I79 PolarHBondContact N-O 3.29Å; T71-I79 VanDerWaalsContact O-CG1 3.23Å; T71-I79 WeakPolarHBondContact O-CG1 2.97Å; T71-I79 PolarHBondContact O-N 3.15Å; N73-I79 HydrophobicContact CB-CD1 4.13Å; N73-I79 HydrophobicContact CB-CG1 4.42Å; N73-I79 HydrophobicContact CB-CG2 4.29Å; E77-I79 PolarHBondContact O-N 3.42Å; I79-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG1-CG2 4.37Å
80L62.3Low57Low43 Ų4398.5 Ų98.523%0.22551%0.507CS..EExtended strand (participates in β ladder)trans-90.3137.4169.7-107.269.4000110.4F52 Y55 T68 C69F52-L80 HydrophobicContact CD1-CD1 3.43Å; F52-L80 VanDerWaalsContact CD1-CD1 3.43Å; F52-L80 HydrophobicContact CE1-CD1 3.68Å; Y55-L80 HydrophobicContact CD1-CD2 4.03Å; Y55-L80 HydrophobicContact CD1-CG 4.41Å; Y55-L80 HydrophobicContact CD2-CD1 3.72Å; Y55-L80 HydrophobicContact CD2-CD2 3.96Å; Y55-L80 HydrophobicContact CD2-CG 4.21Å; Y55-L80 HydrophobicContact CE1-CD2 3.74Å; Y55-L80 HydrophobicContact CE2-CD1 4.1Å; Y55-L80 HydrophobicContact CE2-CD2 3.65Å; Y55-L80 HydrophobicContact CE2-CG 4.39Å; Y55-L80 HydrophobicContact CG-CD1 4.05Å; Y55-L80 HydrophobicContact CG-CD2 4.12Å; Y55-L80 HydrophobicContact CG-CG 4.21Å; T68-L80 HydrophobicContact CG2-CB 4.34Å; T68-L80 HydrophobicContact CG2-CD2 3.55Å; T68-L80 HydrophobicContact CG2-CG 3.83Å; C69-L80 CarbonylContact O-C 3.58Å; C69-L80 WeakPolarHBondContact O-CA 3.06Å
81V60.3Low54.9Low46 Ų46103.9 Ų103.928%0.27954%0.539SS..EExtended strand (participates in β ladder)trans-127.2125.6177.8-177.10000108.3T68 C69 T71 I79 I83T68-V81 CarbonylContact C-O 3.59Å; T68-V81 WeakPolarHBondContact CA-O 3.48Å; C69-V81 PolarHBondContact N-O 3.32Å; C69-V81 PolarHBondContact O-N 2.92Å; T71-V81 HydrophobicContact CG2-CG2 3.57Å; I79-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG1-CG2 4.37Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å
82S61.1Low53.3Low68 Ų68107 Ų10748%0.47656%0.559SS.*EExtended strand (participates in β ladder)trans-96.8117.5172-65.10000109.3C67 T68C67-S82 CarbonylContact O-C 3.57Å; C67-S82 WeakPolarHBondContact O-CA 3.44Å; T68-S82 PolarHBondContact OG1-OG 2.84Å
83I62.6Low51.6Low22 Ų22108 Ų10811%0.11357%0.568CS.*EExtended strand (participates in β ladder)trans-105.4126.2-179.8-53.3179.2000108.1C60 A66 C67 V81C60-I83 HydrophobicContact CB-CD1 4.44Å; A66-I83 CarbonylContact C-O 3.58Å; A66-I83 WeakPolarHBondContact CA-O 2.9Å; C67-I83 PolarHBondContact N-O 2.01Å; C67-I83 PolarHBondContact O-N 2.66Å; V81-I83 HydrophobicContact CG1-CG1 4.06Å
84S57.8Low50.6Low92 Ų92113.9 Ų113.964%0.64359%0.594SS**EExtended strand (participates in β ladder)trans-95.2130.1170.7-48.20000109.4
85C51.9Low49.2Very low11 Ų11109.3 Ų109.37%0.07459%0.589CS.*  trans-121.7108.8-179.6-59.80000109.3Q64 P65 C104Q64-C85 WeakPolarHBondContact O-CB 3.41Å; P65-C85 WeakPolarHBondContact CA-O 3.33Å; P65-C85 PolarHBondContact O-N 2.03Å; C85-C104 PolarHBondContact SG-SG 2.7Å
86C46.3Very low48.6Very low79 Ų79107.6 Ų107.653%0.53459%0.591SS.*  trans59126.9174.3-59.30000117.5C102C86-C102 VanDerWaalsContact SG-SG 3.68Å
87Q45.4Very low47.5Very low192 Ų192107.1 Ų107.190%0.89759%0.592SS**  trans-82.5119.2156.5-72.3-155.91.500108.4Q89Q87-Q89 PolarHBondContact O-N 2.88Å; Q87-Q89 VanDerWaalsContact O-N 3.15Å
88Q40.1Very low46.2Very low191 Ų191110.4 Ų110.489%0.89361%0.607SS**  trans-71.2106.6169.6-72.8-179.7-25.500108.3E90Q88-E90 PolarHBondContact O-N 2.97Å
89Q39.3Very low45.1Very low168 Ų168114.4 Ų114.479%0.78563%0.629SS**  trans-71.2112.5164.5-77.2175.6-31.900108.1Q87 T91Q87-Q89 PolarHBondContact O-N 2.88Å; Q87-Q89 VanDerWaalsContact O-N 3.15Å; Q89-T91 PolarHBondContact O-N 2.83Å; Q89-T91 PolarHBondContact O-OG1 3.24Å
90E38.6Very low44.3Very low199 Ų199119.8 Ų119.893%0.9365%0.652SS**  trans-62.4100163.1-71.3-175.2131.400108.2Q88Q88-E90 PolarHBondContact O-N 2.97Å
91T31.6Very low43.2Very low120 Ų120122.7 Ų122.774%0.73667%0.674SS**  trans-118.7121.2171.5-27.90000109.1Q89Q89-T91 PolarHBondContact O-N 2.83Å; Q89-T91 PolarHBondContact O-OG1 3.24Å
92T37.5Very low42.3Very low128 Ų128123.4 Ų123.479%0.78568%0.68SS**  trans-71.7136.7-179.5-19.20000110.6
93T38.8Very low41.4Very low107 Ų107128.1 Ų128.166%0.65670%0.695SS**  trans82.8106.2153.1-17.30000120.3
94Q39.2Very low40.3Very low184 Ų184129.3 Ų129.386%0.8670%0.704SS**  trans67.2129.2139.9-67.3173.117.900122.8
95A30.5Very low39.7Very low97 Ų97129.6 Ų129.680%0.80270%0.702SS**  trans97.5148.1162.100000118.4
96P38.8Very low39.3Very low118 Ų118133.7 Ų133.777%0.76673%0.729SS**  trans-96133.1-143.635.6-32.7000116.5
97V39.8Very low39.3Very low115 Ų115135.1 Ų135.170%0.69774%0.735SS**  trans42.3111.9139.1-160.90000120.2M99V97-M99 HydrophobicContact CG1-CB 4.39Å; V97-M99 HydrophobicContact CG1-CG 3.64Å
98Q33.1Very low39.1Very low188 Ų188133.9 Ų133.988%0.87973%0.73SS**  -118.9110.4127.4-85-165.3-42.300108.8Q100Q98-Q100 PolarHBondContact O-N 2.03Å
99M34Very low39.3Very low176 Ų176131 Ų13187%0.86772%0.719SS**  trans-67.298.5172-74.2173.183.400108.7V97V97-M99 HydrophobicContact CG1-CB 4.39Å; V97-M99 HydrophobicContact CG1-CG 3.64Å
100Q41.6Very low39.4Very low171 Ų171129 Ų12980%0.79971%0.709SS**  trans-80129.6158.4-82.3165.9-42.400108.2Q98 C102Q98-Q100 PolarHBondContact O-N 2.03Å; Q100-C102 PolarHBondContact O-N 2.99Å
101P38.5Very low39.5Very low104 Ų104128.4 Ų128.468%0.67571%0.707SS**  trans-62.7128.8177.524.7-31.5000109.4Q103P101-Q103 PolarHBondContact O-N 3.19Å
102C41.6Very low40Very low62 Ų62127.9 Ų127.942%0.41970%0.699SS.*  trans-53.4111.9173.1-61.40000108.6Q62 C86 Q100 C104Q62-C102 PolarHBondContact NE2-O 2.76Å; C86-C102 VanDerWaalsContact SG-SG 3.68Å; Q100-C102 PolarHBondContact O-N 2.99Å; C102-C104 PolarHBondContact O-N 3.21Å
103Q41.8Very low40.4Very low166 Ų166123.7 Ų123.778%0.77668%0.675SS**  trans-86106.9173.8-72.2-166.9-13.100108.6P101 T105P101-Q103 PolarHBondContact O-N 3.19Å; Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.08Å
104C39.9Very low40.4Very low47 Ų47125.6 Ų125.632%0.31868%0.676SS.*  trans-7094.1168.7-53.80000107.7Q62 C85 C102 P106Q62-C104 PolarHBondContact NE2-SG 3.34Å; C85-C104 PolarHBondContact SG-SG 2.7Å; C102-C104 PolarHBondContact O-N 3.21Å; C104-P106 WeakPolarHBondContact O-CD 3.01Å
105T46.5Very low40.7Very low98 Ų98121.2 Ų121.260%0.60166%0.662SS**  trans-74.7120.6172.745.50000108.4Q103 T107Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.08Å; T105-T107 PolarHBondContact O-N 3.21Å; T105-T107 VanDerWaalsContact O-N 3.1Å
106P43Very low41.5Very low97 Ų97120 Ų12063%0.6365%0.645SS**  trans-58.8120.8166.724.9-30.6000106.6C104 Q108C104-P106 WeakPolarHBondContact O-CD 3.01Å; P106-Q108 PolarHBondContact O-N 3.44Å
107T47Very low41.7Very low109 Ų109121.6 Ų121.667%0.66965%0.653SS**  trans-55108.9167.4-7.40000105.3T105 I109T105-T107 PolarHBondContact O-N 3.21Å; T105-T107 VanDerWaalsContact O-N 3.1Å; T107-I109 PolarHBondContact O-N 3.44Å; T107-I109 VanDerWaalsContact O-N 3.17Å
108Q40Very low41.9Very low167 Ų167121.4 Ų121.478%0.7865%0.652SS**  trans-42.9127.9177.4-77.2-76.9-26.300107.4P106 Q110P106-Q108 PolarHBondContact O-N 3.44Å; Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.3Å
109I45Very low42.2Very low130 Ų130117.6 Ų117.667%0.66763%0.634SS**  trans-52.292.2-176.5-55.4163.7000107.4T107 Q111T107-I109 PolarHBondContact O-N 3.44Å; T107-I109 VanDerWaalsContact O-N 3.17Å; I109-Q111 PolarHBondContact O-N 2.9Å
110Q41.7Very low42.5Very low125 Ų125116 Ų11658%0.58463%0.625SS**  trans-72102.8172.6-90.4-165.4-35.700105.4Q108 N112Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.3Å; Q110-N112 PolarHBondContact O-N 2.56Å
111Q40.8Very low42.6Very low187 Ų187113.2 Ų113.287%0.87461%0.612SS**THydrogen-bonded Turntrans-63.625.2-170.6-66.4-175.2-2400115.4I109I109-Q111 PolarHBondContact O-N 2.9Å
112N41.7Very low42.5Very low109 Ų109115.6 Ų115.658%0.58361%0.608SS**THydrogen-bonded Turntrans-139.317.7-178.9-137.35.4000115Q110 Q114 P124Q110-N112 PolarHBondContact O-N 2.56Å; N112-Q114 PolarHBondContact O-N 2.81Å; N112-P124 HydrophobicContact CB-CG 4.24Å; N112-P124 WeakPolarHBondContact O-CD 2.93Å
113C44.7Very low42.7Very low40 Ų40115.2 Ų115.227%0.2761%0.605SS.*  trans-83.8107.5175.4-56.50000110.8Q121 Y122 C123C113-Q121 HydrophobicContact CB-CG 4.11Å; C113-Y122 CarbonylContact C-O 3.58Å; C113-Y122 VanDerWaalsContact CA-O 3.23Å; C113-Y122 WeakPolarHBondContact CA-O 3.47Å; C113-C123 HydrophobicContact CB-CB 4.03Å; C113-C123 WeakPolarHBondContact CB-SG 3.5Å; C113-C123 WeakPolarHBondContact SG-CB 3.04Å; C113-C123 CovalentContact SG-SG 2.01Å; C113-C123 PolarHBondContact SG-SG 3.41Å
114Q39.9Very low42.7Very low148 Ų148110 Ų11069%0.69259%0.586SS**EExtended strand (participates in β ladder)trans-89.7129.8173.9-74.1-174.6-3.700110.7N112 Y122N112-Q114 PolarHBondContact O-N 2.81Å; Q114-Y122 PolarHBondContact N-O 3.27Å; Q114-Y122 PolarHBondContact O-N 3.46Å
115T44.5Very low42.7Very low92 Ų92115 Ų11556%0.56461%0.605SS**EExtended strand (participates in β ladder)trans-83.5116.9173.8-51.80000109.1
116T48.7Very low42.4Very low71 Ų71119.3 Ų119.344%0.43662%0.618SS.*PPolyproline II helixtrans-73.5154.5176.7-18.40000110.1T118 Q119 Q120T116-T118 PolarHBondContact O-N 2.77Å; T116-Q119 PolarHBondContact O-N 2.66Å; T116-Q120 PolarHBondContact N-O 3.13Å; T116-Q120 PolarHBondContact OG1-O 3.03Å
117T41.7Very low42.4Very low151 Ų151120.1 Ų120.193%0.92663%0.626SS**THydrogen-bonded Turntrans-57.9-8-1788.90000115.1
118T43.9Very low41.9Very low112 Ų112118.7 Ų118.769%0.68763%0.625SS**THydrogen-bonded Turntrans-100.812.1174.745.80000114.1T116T116-T118 PolarHBondContact O-N 2.77Å
119Q40.1Very low42Very low107 Ų107115.6 Ų115.650%0.562%0.62SS.*SBendtrans65.424.4-176.7-63.2-150.7107.600116.4L50 T116L50-Q119 HydrophobicContact CD1-CG 4.3Å; L50-Q119 HydrophobicContact CD2-CG 4.35Å; L50-Q119 VanDerWaalsContact CD2-OE1 3.3Å; T116-Q119 PolarHBondContact O-N 2.66Å
120Q40.9Very low42.1Very low144 Ų144115.3 Ų115.367%0.67362%0.624SS**  trans-96.1133.5167.1-62.1-144.943.600110T116T116-Q120 PolarHBondContact N-O 3.13Å; T116-Q120 PolarHBondContact OG1-O 3.03Å
121Q43.4Very low42.3Very low111 Ų111115.3 Ų115.352%0.51963%0.632SS.*EExtended strand (participates in β ladder)trans-96.2116.9-177.3-159.4152.32.600109C113C113-Q121 HydrophobicContact CB-CG 4.11Å
122Y36.2Very low42.7Very low155 Ų155113.9 Ų113.961%0.60863%0.625SS**EExtended strand (participates in β ladder)trans-107.4110.7-177.2179.9-99.2000110.2C113 Q114 P124C113-Y122 CarbonylContact C-O 3.58Å; C113-Y122 VanDerWaalsContact CA-O 3.23Å; C113-Y122 WeakPolarHBondContact CA-O 3.47Å; Q114-Y122 PolarHBondContact N-O 3.27Å; Q114-Y122 PolarHBondContact O-N 3.46Å; Y122-P124 HydrophobicContact CE1-CB 4.22Å
123C46.1Very low43.7Very low53 Ų53111.9 Ų111.936%0.35862%0.618SS.*  trans-104.9117.5172-50.80000108.8C113 Q125C113-C123 HydrophobicContact CB-CB 4.03Å; C113-C123 WeakPolarHBondContact CB-SG 3.5Å; C113-C123 WeakPolarHBondContact SG-CB 3.04Å; C113-C123 CovalentContact SG-SG 2.01Å; C113-C123 PolarHBondContact SG-SG 3.41Å; C123-Q125 PolarHBondContact O-N 2.9Å
124P41.3Very low44.8Very low58 Ų58115.1 Ų115.138%0.37763%0.629SS.*  trans-72.696.617329.4-28.9000107.9N112 Y122 Q126N112-P124 HydrophobicContact CB-CG 4.24Å; N112-P124 WeakPolarHBondContact O-CD 2.93Å; Y122-P124 HydrophobicContact CE1-CB 4.22Å; P124-Q126 PolarHBondContact O-N 3.49Å
125Q39.8Very low46.5Very low151 Ų151112.1 Ų112.171%0.70662%0.623SS**  trans-68124.9163.4-77.8-149.2-29.200107.9C123 S127C123-Q125 PolarHBondContact O-N 2.9Å; Q125-S127 PolarHBondContact O-N 3.06Å; Q125-S127 VanDerWaalsContact O-N 3.09Å
126Q40.3Very low48.1Very low189 Ų189108 Ų10888%0.88360%0.598SS**  trans-48.6120.5166.4-75.1170.6-17.600107.6P124 A128P124-Q126 PolarHBondContact O-N 3.49Å; Q126-A128 PolarHBondContact O-N 2.75Å
127S43.7Very low49.4Very low113 Ų113109.9 Ų109.979%0.7961%0.611SS**  trans-58.5100.7-174.742.60000110.3Q125Q125-S127 PolarHBondContact O-N 3.06Å; Q125-S127 VanDerWaalsContact O-N 3.09Å
128A35.8Very low51Low79 Ų79107.3 Ų107.365%0.65359%0.591SS**  trans-59.4135.1139.600000106.3Q126 V130Q126-A128 PolarHBondContact O-N 2.75Å; A128-V130 PolarHBondContact O-N 3.24Å
129P41Very low52.4Low103 Ų103103.5 Ų103.567%0.66957%0.568SS**  trans-50.4139.7174.519.1-28.6000108.8V131P129-V131 HydrophobicContact CB-CG2 4.26Å; P129-V131 HydrophobicContact CG-CG2 4.04Å; P129-V131 WeakPolarHBondContact O-CG2 3.49Å; P129-V131 PolarHBondContact O-N 3.17Å
130V48.1Very low53.3Low123 Ų123107.7 Ų107.775%0.74559%0.587SS**  trans-64.189.5175.9178.70000107.2A128A128-V130 PolarHBondContact O-N 3.24Å
131V45.4Very low54.1Low126 Ų126103 Ų10376%0.76458%0.577SS**  trans-86.6-7.5-175.4171.80000111.7P129P129-V131 HydrophobicContact CB-CG2 4.26Å; P129-V131 HydrophobicContact CG-CG2 4.04Å; P129-V131 WeakPolarHBondContact O-CG2 3.49Å; P129-V131 PolarHBondContact O-N 3.17Å
132Q50.3Low54.5Low156 Ų156101.1 Ų101.173%0.72958%0.577SS**SBendtrans-150.2141-177.8-140.1163.913.800113Q134Q132-Q134 PolarHBondContact O-N 3.42Å
133P61.5Low55.8Low67 Ų6794.3 Ų94.344%0.43555%0.553SS.*PPolyproline II helixtrans-60.6131.9176.524-33.7000110.9M156 I157P133-M156 HydrophobicContact CB-CB 3.82Å; P133-M156 HydrophobicContact CB-CE 4.33Å; P133-M156 VanDerWaalsContact CB-O 3.25Å; P133-M156 WeakPolarHBondContact CB-O 3.39Å; P133-I157 HydrophobicContact CB-CG1 3.94Å; P133-I157 HydrophobicContact CG-CG1 4.47Å; P133-I157 WeakPolarHBondContact O-CD1 3.24Å
134Q67.8Low57Low108 Ų10894 Ų9451%0.50555%0.55SS..PPolyproline II helixtrans-102144-178-72.2-159.7-3400112.3Q132 F181Q132-Q134 PolarHBondContact O-N 3.42Å; Q134-F181 HydrophobicContact CB-CD1 3.93Å; Q134-F181 HydrophobicContact CB-CE1 3.98Å
135P75.6Confident58.3Low86 Ų8698.5 Ų98.556%0.55857%0.566SS**PPolyproline II helixtrans-74.3150.8-179.427.7-32000111.6P137 I157P135-P137 WeakPolarHBondContact O-CD 3.48Å; P135-I157 VanDerWaalsContact CA-CD1 3.49Å; P135-I157 HydrophobicContact CB-CD1 3.76Å; P135-I157 HydrophobicContact CG-CD1 4.23Å
136C79.2Confident59.9Low5 Ų597.5 Ų97.53%0.03457%0.565CS.*PPolyproline II helixtrans-72.2122.6172.4166.60000110L138 V139 S154 F181 C182C136-L138 PolarHBondContact O-N 3.44Å; C136-L138 VanDerWaalsContact O-N 3.16Å; C136-L138 PolarHBondContact SG-N 3.1Å; C136-V139 HydrophobicContact CB-CG2 3.69Å; C136-V139 PolarHBondContact O-N 2.93Å; C136-S154 WeakPolarHBondContact CB-OG 3.31Å; C136-S154 PolarHBondContact N-OG 2.97Å; C136-F181 WeakPolarHBondContact CB-O 3.14Å; C136-C182 HydrophobicContact CB-CB 3.86Å; C136-C182 WeakPolarHBondContact CB-SG 3.29Å; C136-C182 VanDerWaalsContact SG-CA 3.6Å; C136-C182 WeakPolarHBondContact SG-CB 3.25Å; C136-C182 CovalentContact SG-SG 2.01Å; C136-C182 PolarHBondContact SG-SG 2.93Å
137P75.7Confident61.9Low110 Ų11088.9 Ų88.971%0.71453%0.526SS*.THydrogen-bonded Turntrans-71.2-10.9-177.928.8-35.5000113.6P135P135-P137 WeakPolarHBondContact O-CD 3.48Å
138L74.8Confident64.1Low98 Ų9889.2 Ų89.251%0.51352%0.516SS..THydrogen-bonded Turntrans-88.8-5.2179.6-57.7176.3000113.1C136 Q140 I152C136-L138 PolarHBondContact O-N 3.44Å; C136-L138 VanDerWaalsContact O-N 3.16Å; C136-L138 PolarHBondContact SG-N 3.1Å; L138-Q140 PolarHBondContact O-N 3.34Å; L138-I152 HydrophobicContact CB-CD1 4.21Å; L138-I152 HydrophobicContact CB-CG2 4.18Å
139V74.1Confident66.5Low31 Ų3190.4 Ų90.419%0.18850%0.504CS..  trans-80.1105.7176.9-171.70000108.3C136 G141 I152C136-V139 HydrophobicContact CB-CG2 3.69Å; C136-V139 PolarHBondContact O-N 2.93Å; V139-G141 WeakPolarHBondContact CG1-O 3.38Å; V139-G141 PolarHBondContact O-N 2.86Å; V139-G141 VanDerWaalsContact O-N 3.08Å; V139-I152 HydrophobicContact CG2-CG2 4.13Å
140Q57.6Low68.7Low195 Ų19589.3 Ų89.391%0.91149%0.49SS*.SBendtrans-76.488.4169.6-88.8170.7-42.400109.2L138L138-Q140 PolarHBondContact O-N 3.34Å
141G57.6Low70.5Confident45 Ų4584.6 Ų84.646%0.46447%0.466SS..SBendtrans116.6169.2178.700000114V139 G143V139-G141 WeakPolarHBondContact CG1-O 3.38Å; V139-G141 PolarHBondContact O-N 2.86Å; V139-G141 VanDerWaalsContact O-N 3.08Å; G141-G143 PolarHBondContact O-N 3.35Å; G141-G143 VanDerWaalsContact O-N 3.11Å
142S53.5Low72.4Confident72 Ų7281.9 Ų81.950%0.50345%0.447SS..  trans-56.7112.9176.7-40.30000110.1V144 Q145S142-V144 PolarHBondContact O-N 2.05Å; S142-Q145 VanDerWaalsContact CB-OE1 3.29Å; S142-Q145 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact OG-OE1 3.09Å; S142-Q145 VanDerWaalsContact OG-OE1 3.13Å
143G63Low74.1Confident12 Ų1274.5 Ų74.512%0.12441%0.412CS..THydrogen-bonded Turntrans-59.6-19.4-159.300000118G141 D158 W185G141-G143 PolarHBondContact O-N 3.35Å; G141-G143 VanDerWaalsContact O-N 3.11Å; G143-D158 WeakPolarHBondContact CA-OD2 3.02Å; G143-W185 WeakPolarHBondContact O-CZ2 3.39Å
144V71.3Confident75.3Confident47 Ų4771.5 Ų71.529%0.28539%0.393SS..THydrogen-bonded Turntrans-91.1-30.4175.2-152.70000112.7S142 N146 A147 D158 A161S142-V144 PolarHBondContact O-N 2.05Å; V144-N146 PolarHBondContact O-N 3.26Å; V144-A147 WeakPolarHBondContact O-CB 3.04Å; V144-A147 PolarHBondContact O-N 3.06Å; V144-D158 HydrophobicContact CG2-CB 3.98Å; V144-D158 WeakPolarHBondContact CG2-OD1 3.24Å; V144-A161 HydrophobicContact CG1-CB 3.48Å; V144-A161 VanDerWaalsContact CG1-CB 3.48Å
145Q69Low76.1Confident153 Ų15370.8 Ų70.872%0.71539%0.386SS*.THydrogen-bonded Turntrans-71.9-31.5-169.9-69.2-178.8-21.400112.8S142S142-Q145 VanDerWaalsContact CB-OE1 3.29Å; S142-Q145 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact OG-OE1 3.09Å; S142-Q145 VanDerWaalsContact OG-OE1 3.13Å
146N73Confident76.2Confident129 Ų12969.6 Ų69.669%0.6937%0.374SS*.THydrogen-bonded Turntrans-111.129.8176.1-67.4-43.3000111.7V144 Q148V144-N146 PolarHBondContact O-N 3.26Å; N146-Q148 PolarHBondContact O-N 3.23Å
147A82.4Confident76.4Confident8 Ų872.7 Ų72.77%0.06639%0.389CS..  trans-64.8123.3-178.200000110.9V144 A161 P164 L171 W185V144-A147 WeakPolarHBondContact O-CB 3.04Å; V144-A147 PolarHBondContact O-N 3.06Å; A147-A161 HydrophobicContact CB-CB 3.45Å; A147-A161 VanDerWaalsContact CB-CB 3.45Å; A147-P164 WeakPolarHBondContact O-CD 3.11Å; A147-L171 HydrophobicContact CB-CD1 3.72Å; A147-W185 HydrophobicContact CB-CD2 4.29Å; A147-W185 HydrophobicContact CB-CZ2 4.01Å
148Q88.8Confident76.8Confident121 Ų12168.6 Ų68.657%0.56536%0.361SS*.  trans-135.2145.3178-173.5177.6-3.400109.1N146 Q150 G151 W185N146-Q148 PolarHBondContact O-N 3.23Å; Q148-Q150 PolarHBondContact O-N 3.25Å; Q148-G151 WeakPolarHBondContact O-CA 3.36Å; Q148-G151 PolarHBondContact O-N 3.17Å; Q148-W185 WeakPolarHBondContact O-CB 3.19Å
149Y87.6Confident77.1Confident104 Ų10467.1 Ų67.141%0.40836%0.357SS..THydrogen-bonded Turntrans-49.4132.3173.2177.3-117.3000111.4G151 R187Y149-G151 PolarHBondContact O-N 3.13Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; Y149-R187 HydrophobicContact CD2-CB 3.77Å; Y149-R187 HydrophobicContact CE2-CB 4.14Å
150Q86.8Confident77.9Confident80 Ų8067.2 Ų67.237%0.37436%0.357SS..THydrogen-bonded Turntrans65.6-1.3-173.7-62-72.5-21.200116Q148 R184 W185Q148-Q150 PolarHBondContact O-N 3.25Å; Q150-R184 PolarHBondContact O-NH1 3.15Å; Q150-W185 PolarHBondContact N-O 3.11Å
151G85.5Confident79.5Confident24 Ų2458 Ų5825%0.24731%0.313CS..  trans-64162.9171.100000112.7Q148 Y149 R184 W185Q148-G151 WeakPolarHBondContact O-CA 3.36Å; Q148-G151 PolarHBondContact O-N 3.17Å; Y149-G151 PolarHBondContact O-N 3.13Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; G151-R184 WeakPolarHBondContact O-CA 3.39Å; G151-W185 PolarHBondContact O-N 3.33Å
152I85.1Confident81Confident69 Ų6958.8 Ų58.835%0.35431%0.309SS..EExtended strand (participates in β ladder)trans-81.7140.8178.1-56.1176.2000109L138 V139 C182L138-I152 HydrophobicContact CB-CD1 4.21Å; L138-I152 HydrophobicContact CB-CG2 4.18Å; V139-I152 HydrophobicContact CG2-CG2 4.13Å; I152-C182 HydrophobicContact CG2-CB 4.31Å
153C86.4Confident82.7Confident0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-140.4162.6179.754.20000111.9C173 C182 G183 R184 W185C153-C173 HydrophobicContact CB-CB 3.81Å; C153-C173 WeakPolarHBondContact CB-SG 3.41Å; C153-C173 WeakPolarHBondContact SG-CA 3.32Å; C153-C173 WeakPolarHBondContact SG-CB 3.42Å; C153-C173 CovalentContact SG-SG 2Å; C153-C173 PolarHBondContact SG-SG 3.26Å; C153-C182 CarbonylContact O-C 3.42Å; C153-C182 WeakPolarHBondContact O-CA 3.43Å; C153-G183 PolarHBondContact N-O 2.62Å; C153-G183 VanDerWaalsContact N-O 3.08Å; C153-G183 PolarHBondContact O-N 2.81Å; C153-R184 PolarHBondContact SG-N 2.77Å; C153-R184 VanDerWaalsContact SG-N 3.39Å; C153-W185 HydrophobicContact CB-CD2 3.65Å; C153-W185 HydrophobicContact CB-CE3 4.26Å; C153-W185 HydrophobicContact CB-CG 4.06Å; C153-W185 HydrophobicContact CB-CH2 4.12Å; C153-W185 HydrophobicContact CB-CZ2 3.48Å; C153-W185 VanDerWaalsContact CB-CZ2 3.48Å; C153-W185 HydrophobicContact CB-CZ3 4.48Å; C153-W185 PolarHBondContact SG-N 3.48Å
154S87.5Confident83.9Confident5 Ų559.9 Ų59.94%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-9293.9174.3-57.30000109.2C136 M156 I157 D158C136-S154 WeakPolarHBondContact CB-OG 3.31Å; C136-S154 PolarHBondContact N-OG 2.97Å; S154-M156 PolarHBondContact O-N 2.95Å; S154-I157 PolarHBondContact O-N 3.47Å; S154-D158 PolarHBondContact O-N 2.85Å
155W83.4Confident84.7Confident92 Ų9264.2 Ų64.235%0.34833%0.329SS..THydrogen-bonded Turntrans-63.9-22.2-16977.7-89.5000114.3C173 P175 L180 F181W155-C173 WeakPolarHBondContact CA-SG 3.06Å; W155-C173 HydrophobicContact CB-CB 4.3Å; W155-C173 WeakPolarHBondContact CB-SG 3.21Å; W155-C173 PolarHBondContact N-SG 3.41Å; W155-C173 VanDerWaalsContact N-SG 3.39Å; W155-P175 HydrophobicContact CB-CG 4.44Å; W155-P175 HydrophobicContact CD2-CB 4.11Å; W155-P175 HydrophobicContact CD2-CG 3.76Å; W155-P175 HydrophobicContact CE3-CG 3.83Å; W155-P175 HydrophobicContact CG-CB 4.11Å; W155-P175 HydrophobicContact CG-CG 4.03Å; W155-P175 HydrophobicContact CZ3-CG 4.39Å; W155-L180 PolarHBondContact NE1-O 2.9Å; W155-F181 VanDerWaalsContact CD1-C 3.47Å; W155-F181 PolarHBondContact N-O 2.81Å
156M78.8Confident85.6Confident62 Ų6258.4 Ų58.431%0.30531%0.305SS..THydrogen-bonded Turntrans-84.6-17.7177.1-62.9-174.87100114.1P133 S154 F181P133-M156 HydrophobicContact CB-CB 3.82Å; P133-M156 HydrophobicContact CB-CE 4.33Å; P133-M156 VanDerWaalsContact CB-O 3.25Å; P133-M156 WeakPolarHBondContact CB-O 3.39Å; S154-M156 PolarHBondContact O-N 2.95Å; M156-F181 HydrophobicContact SD-CD1 3.99Å; M156-F181 HydrophobicContact SD-CE1 4.39Å
157I82.3Confident86.2Confident69 Ų6961.2 Ų61.235%0.35431%0.306SS..THydrogen-bonded Turntrans-117.3-39-173.5-61.3-170.6000111.8P133 P135 S154 P159P133-I157 HydrophobicContact CB-CG1 3.94Å; P133-I157 HydrophobicContact CG-CG1 4.47Å; P133-I157 WeakPolarHBondContact O-CD1 3.24Å; P135-I157 VanDerWaalsContact CA-CD1 3.49Å; P135-I157 HydrophobicContact CB-CD1 3.76Å; P135-I157 HydrophobicContact CG-CD1 4.23Å; S154-I157 PolarHBondContact O-N 3.47Å; I157-P159 VanDerWaalsContact C-CD 3.41Å; I157-P159 WeakPolarHBondContact O-CD 3.13Å
158D83.5Confident86.4Confident24 Ų2464.1 Ų64.113%0.12832%0.323CS..  trans-116.573.8-175.1-57.2-44.4000109.1G143 V144 S154 C173 W185G143-D158 WeakPolarHBondContact CA-OD2 3.02Å; V144-D158 HydrophobicContact CG2-CB 3.98Å; V144-D158 WeakPolarHBondContact CG2-OD1 3.24Å; S154-D158 PolarHBondContact O-N 2.85Å; D158-C173 WeakPolarHBondContact O-CB 3.22Å; D158-W185 HydrophobicContact CB-CH2 3.92Å; D158-W185 HydrophobicContact CB-CZ2 4.1Å; D158-W185 WeakPolarHBondContact O-CH2 3.11Å
159P82.2Confident86.6Confident68 Ų6861 Ų6144%0.44231%0.309SS..  trans-70.7-33-174.927.8-34.7000112.4I157 Q172 C173I157-P159 VanDerWaalsContact C-CD 3.41Å; I157-P159 WeakPolarHBondContact O-CD 3.13Å; P159-Q172 WeakPolarHBondContact O-CA 3.49Å; P159-C173 PolarHBondContact O-N 3.35Å
160L91Very high86.8Confident33 Ų3358.2 Ų58.217%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-137.7150.6-179.1-49.7166.3000111.7Y170 L171 Q172 F196 Q201L160-Y170 HydrophobicContact CD2-CD2 3.74Å; L160-Y170 HydrophobicContact CD2-CE2 3.57Å; L160-L171 CarbonylContact C-O 3.35Å; L160-L171 WeakPolarHBondContact CA-O 3.39Å; L160-Q172 HydrophobicContact CD2-CB 3.9Å; L160-Q172 HydrophobicContact CD2-CG 3.85Å; L160-F196 HydrophobicContact CB-CE2 4.45Å; L160-F196 HydrophobicContact CB-CZ 3.84Å; L160-F196 HydrophobicContact CD1-CE2 4.27Å; L160-F196 HydrophobicContact CD1-CZ 4.33Å; L160-Q201 HydrophobicContact CD1-CB 4.32Å; L160-Q201 WeakPolarHBondContact CD1-O 3.35Å
161A90.3Very high87.1Confident0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-145.6158.7174.900000111V144 A147 L171 W185V144-A161 HydrophobicContact CG1-CB 3.48Å; V144-A161 VanDerWaalsContact CG1-CB 3.48Å; A147-A161 HydrophobicContact CB-CB 3.45Å; A147-A161 VanDerWaalsContact CB-CB 3.45Å; A161-L171 HydrophobicContact CB-CB 4.2Å; A161-L171 PolarHBondContact N-O 2.81Å; A161-L171 PolarHBondContact O-N 2.81Å; A161-W185 HydrophobicContact CB-CE3 4.47Å; A161-W185 HydrophobicContact CB-CH2 3.65Å; A161-W185 HydrophobicContact CB-CZ2 3.93Å; A161-W185 HydrophobicContact CB-CZ3 3.93Å
162T89.7Confident87.5Confident62 Ų6256.5 Ų56.538%0.3828%0.284SS..EExtended strand (participates in β ladder)trans-66.5140.316937.50000111P164 F196 V198T162-P164 WeakPolarHBondContact O-CD 3.35Å; T162-F196 HydrophobicContact CG2-CD1 3.78Å; T162-F196 HydrophobicContact CG2-CE1 4.23Å; T162-V198 HydrophobicContact CG2-CB 3.82Å; T162-V198 HydrophobicContact CG2-CG2 4.3Å
163D90Very high87.7Confident11 Ų1153.8 Ų53.86%0.05927%0.27CS..  trans-85.8117.4171.7174.714.1000110.6Q165 S166 H169 L171 R187D163-Q165 PolarHBondContact O-N 2Å; D163-Q165 VanDerWaalsContact O-N 3.17Å; D163-Q165 PolarHBondContact OD1-N 3.39Å; D163-S166 WeakPolarHBondContact CB-O 3.32Å; D163-S166 PolarHBondContact O-N 2.91Å; D163-S166 VanDerWaalsContact O-O 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.48Å; D163-H169 HydrophobicContact CB-CB 4.42Å; D163-L171 HydrophobicContact CB-CD2 4.3Å; D163-L171 HydrophobicContact CB-CG 4.08Å; D163-R187 IonicContact OD1-CZ 3.72Å; D163-R187 IonicContact OD1-NE 3.85Å; D163-R187 IonicContact OD1-NH2 2.77Å; D163-R187 PolarHBondContact OD1-NH2 2.79Å; D163-R187 IonicContact OD2-CZ 3.03Å; D163-R187 IonicContact OD2-NE 2.62Å; D163-R187 PolarHBondContact OD2-NE 3Å; D163-R187 IonicContact OD2-NH2 2.83Å; D163-R187 PolarHBondContact OD2-NH2 3.05Å
164P87.2Confident87.9Confident96 Ų9658 Ų5862%0.62329%0.29SS*.THydrogen-bonded Turntrans-66.3-18.4-177.726.2-34.5000113.6A147 T162A147-P164 WeakPolarHBondContact O-CD 3.11Å; T162-P164 WeakPolarHBondContact O-CD 3.35Å
165Q88.8Confident87.8Confident138 Ų13861.6 Ų61.665%0.64531%0.313SS*.THydrogen-bonded Turntrans-97.5-13-178.9-49.2-178.1-44.700113.3D163D163-Q165 PolarHBondContact O-N 2Å; D163-Q165 VanDerWaalsContact O-N 3.17Å; D163-Q165 PolarHBondContact OD1-N 3.39Å
166S87.1Confident87.7Confident31 Ų3158.6 Ų58.622%0.21731%0.308CS..  trans-154.3130.9-176.3-1730000112.1D163 T168 H169D163-S166 WeakPolarHBondContact CB-O 3.32Å; D163-S166 PolarHBondContact O-N 2.91Å; D163-S166 VanDerWaalsContact O-O 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.48Å; S166-T168 PolarHBondContact OG-N 2.96Å; S166-T168 PolarHBondContact OG-OG1 3.42Å; S166-T168 VanDerWaalsContact OG-OG1 3.13Å; S166-H169 PolarHBondContact OG-ND1 3.38Å
167R85.8Confident87.5Confident188 Ų18861.8 Ų61.871%0.70933%0.334SS*.THydrogen-bonded Turntrans-81.8-20.5174.6-58.5-169.4-156.8171.95.5113.7V195 F196R167-V195 HydrophobicContact CB-CB 4.38Å; R167-V195 HydrophobicContact CB-CG1 3.93Å; R167-V195 VanDerWaalsContact O-CA 3.22Å; R167-V195 WeakPolarHBondContact O-CA 3.44Å; R167-V195 WeakPolarHBondContact O-CB 3Å; R167-F196 PolarHBondContact O-N 3.39Å; R167-F196 VanDerWaalsContact O-N 3.1Å
168T87.6Confident87Confident69 Ų6966.2 Ų66.242%0.42336%0.358SS..THydrogen-bonded Turntrans-88.45.2177.557.30000112.3S166 C190S166-T168 PolarHBondContact OG-N 2.96Å; S166-T168 PolarHBondContact OG-OG1 3.42Å; S166-T168 VanDerWaalsContact OG-OG1 3.13Å; T168-C190 VanDerWaalsContact O-CB 3.29Å; T168-C190 WeakPolarHBondContact O-CB 3.36Å; T168-C190 PolarHBondContact O-N 2.83Å
169H91.5Very high86.6Confident57 Ų5767.4 Ų67.426%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-128.4158.4172.9-62.673.5000109.5D163 S166 R187 M188D163-H169 HydrophobicContact CB-CB 4.42Å; S166-H169 PolarHBondContact OG-ND1 3.38Å; H169-R187 HydrophobicContact CB-CG 3.75Å; H169-M188 CarbonylContact C-O 3.53Å; H169-M188 WeakPolarHBondContact CA-O 3.31Å; H169-M188 WeakPolarHBondContact CB-O 3.43Å
170Y92.6Very high86.2Confident45 Ų4570.3 Ų70.318%0.17638%0.375CS..EExtended strand (participates in β ladder)trans-130.7163.5171.564-84.5000109.5L160 Q172 R187 M188 F196L160-Y170 HydrophobicContact CD2-CD2 3.74Å; L160-Y170 HydrophobicContact CD2-CE2 3.57Å; Y170-Q172 HydrophobicContact CE2-CB 4.17Å; Y170-R187 WeakPolarHBondContact O-CA 3.48Å; Y170-M188 HydrophobicContact CD1-CB 3.97Å; Y170-M188 WeakPolarHBondContact CD1-O 3.41Å; Y170-M188 HydrophobicContact CD2-CB 3.97Å; Y170-M188 HydrophobicContact CD2-CG 4.44Å; Y170-M188 HydrophobicContact CE1-CB 3.5Å; Y170-M188 HydrophobicContact CE2-CB 3.49Å; Y170-M188 VanDerWaalsContact CE2-CB 3.49Å; Y170-M188 HydrophobicContact CE2-CG 3.83Å; Y170-M188 HydrophobicContact CG-CB 4.19Å; Y170-M188 PolarHBondContact N-O 3.38Å; Y170-M188 PolarHBondContact O-N 2.73Å; Y170-F196 VanDerWaalsContact CB-CD2 3.49Å; Y170-F196 VanDerWaalsContact CB-CG 3.4Å; Y170-F196 HydrophobicContact CD1-CD2 4.16Å; Y170-F196 HydrophobicContact CD2-CD2 4.49Å; Y170-F196 HydrophobicContact CD2-CE2 4.35Å; Y170-F196 AromaticContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CE2 4.12Å; Y170-F196 HydrophobicContact CG-CG 4.24Å
171L93.1Very high85.8Confident0 Ų071.6 Ų71.60%038%0.38CS..EExtended strand (participates in β ladder)trans-99.6131.2174.3-59.7177.6000108.7A147 L160 A161 D163 W185 Q186 R187A147-L171 HydrophobicContact CB-CD1 3.72Å; L160-L171 CarbonylContact C-O 3.35Å; L160-L171 WeakPolarHBondContact CA-O 3.39Å; A161-L171 HydrophobicContact CB-CB 4.2Å; A161-L171 PolarHBondContact N-O 2.81Å; A161-L171 PolarHBondContact O-N 2.81Å; D163-L171 HydrophobicContact CB-CD2 4.3Å; D163-L171 HydrophobicContact CB-CG 4.08Å; L171-W185 HydrophobicContact CB-CB 4.31Å; L171-W185 HydrophobicContact CB-CD2 4.02Å; L171-W185 HydrophobicContact CB-CE3 3.58Å; L171-W185 HydrophobicContact CB-CG 4.35Å; L171-W185 HydrophobicContact CB-CZ3 4.23Å; L171-W185 HydrophobicContact CD1-CB 4.35Å; L171-W185 HydrophobicContact CD1-CG 4.3Å; L171-W185 HydrophobicContact CD2-CB 4.49Å; L171-Q186 CarbonylContact C-O 3.53Å; L171-Q186 VanDerWaalsContact CA-O 3.31Å; L171-Q186 WeakPolarHBondContact CA-O 3.1Å; L171-R187 HydrophobicContact CD2-CB 4.26Å
172Q93.1Very high85.6Confident68 Ų6871.8 Ų71.832%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-114.9129.9172.5-177.1174.338.200109.7P159 L160 Y170 Q174 Q186 M188P159-Q172 WeakPolarHBondContact O-CA 3.49Å; L160-Q172 HydrophobicContact CD2-CB 3.9Å; L160-Q172 HydrophobicContact CD2-CG 3.85Å; Y170-Q172 HydrophobicContact CE2-CB 4.17Å; Q172-Q174 PolarHBondContact O-N 3.32Å; Q172-Q186 PolarHBondContact N-O 2.89Å; Q172-Q186 PolarHBondContact O-N 3.35Å; Q172-M188 HydrophobicContact CB-CG 3.78Å
173C90.3Very high85.5Confident11 Ų1168.9 Ų68.97%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-81.1114.1178.7-170.10000110.2C153 W155 D158 P159 W185C153-C173 HydrophobicContact CB-CB 3.81Å; C153-C173 WeakPolarHBondContact CB-SG 3.41Å; C153-C173 WeakPolarHBondContact SG-CA 3.32Å; C153-C173 WeakPolarHBondContact SG-CB 3.42Å; C153-C173 CovalentContact SG-SG 2Å; C153-C173 PolarHBondContact SG-SG 3.26Å; W155-C173 WeakPolarHBondContact CA-SG 3.06Å; W155-C173 HydrophobicContact CB-CB 4.3Å; W155-C173 WeakPolarHBondContact CB-SG 3.21Å; W155-C173 PolarHBondContact N-SG 3.41Å; W155-C173 VanDerWaalsContact N-SG 3.39Å; D158-C173 WeakPolarHBondContact O-CB 3.22Å; P159-C173 PolarHBondContact O-N 3.35Å; C173-W185 HydrophobicContact CB-CE3 3.87Å; C173-W185 HydrophobicContact CB-CH2 4.03Å; C173-W185 HydrophobicContact CB-CZ3 3.59Å; C173-W185 VanDerWaalsContact N-CZ3 3.35Å
174Q89.5Confident85.4Confident89 Ų8974.1 Ų74.142%0.41638%0.382SS..EExtended strand (participates in β ladder)trans-99.4134.1176.7-67.8-171.2-6.700110.9Q172 A176 G183 R184 Q186Q172-Q174 PolarHBondContact O-N 3.32Å; Q174-A176 PolarHBondContact O-N 2.82Å; Q174-G183 CarbonylContact O-C 3.44Å; Q174-G183 WeakPolarHBondContact O-CA 3.47Å; Q174-R184 PolarHBondContact N-O 3.18Å; Q174-R184 PolarHBondContact O-N 3.04Å; Q174-Q186 HydrophobicContact CB-CG 4.23Å; Q174-Q186 HydrophobicContact CG-CB 4.3Å; Q174-Q186 HydrophobicContact CG-CG 3.77Å
175P85.7Confident85.5Confident81 Ų8169.6 Ų69.653%0.52635%0.353SS..EExtended strand (participates in β ladder)trans-56.7137.3-179.3-21.329.9000112.6W155W155-P175 HydrophobicContact CB-CG 4.44Å; W155-P175 HydrophobicContact CD2-CB 4.11Å; W155-P175 HydrophobicContact CD2-CG 3.76Å; W155-P175 HydrophobicContact CE3-CG 3.83Å; W155-P175 HydrophobicContact CG-CB 4.11Å; W155-P175 HydrophobicContact CG-CG 4.03Å; W155-P175 HydrophobicContact CZ3-CG 4.39Å
176A82.1Confident85.7Confident29 Ų2964.9 Ų64.924%0.2433%0.331CS..EExtended strand (participates in β ladder)trans-81.3143.2174.800000110.7Q174 N178 N179 C182Q174-A176 PolarHBondContact O-N 2.82Å; A176-N178 PolarHBondContact O-N 3.31Å; A176-N179 HydrophobicContact CB-CB 4.32Å; A176-N179 PolarHBondContact O-N 3.17Å; A176-C182 VanDerWaalsContact CB-O 3.3Å; A176-C182 WeakPolarHBondContact CB-O 3.47Å; A176-C182 PolarHBondContact N-O 3.45Å
177P73.9Confident86Confident129 Ų12967.2 Ų67.284%0.83834%0.335SS*.THydrogen-bonded Turntrans-65.5-25.2-175.724.4-33.9000114
178N73.1Confident86.4Confident162 Ų16260.8 Ų60.887%0.86631%0.314SS*.THydrogen-bonded Turntrans-113.28.5-174.2-62.6-25.6000113.4A176A176-N178 PolarHBondContact O-N 3.31Å
179N73.9Confident86.7Confident48 Ų4861.6 Ų61.626%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-142.6120.8-179-166.5-43.9000110.8A176 F181 C182A176-N179 HydrophobicContact CB-CB 4.32Å; A176-N179 PolarHBondContact O-N 3.17Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 PolarHBondContact O-N 3.04Å; N179-F181 PolarHBondContact OD1-N 3.13Å; N179-C182 HydrophobicContact CB-CB 3.93Å; N179-C182 VanDerWaalsContact CG-CB 3.47Å; N179-C182 PolarHBondContact ND2-SG 3.25Å; N179-C182 PolarHBondContact OD1-N 3.34Å; N179-C182 VanDerWaalsContact OD1-N 3.15Å; N179-C182 PolarHBondContact OD1-SG 2.83Å; N179-C182 VanDerWaalsContact OD1-SG 3.39Å
180L74.4Confident86.6Confident129 Ų12959.6 Ų59.668%0.67531%0.312SS*.EExtended strand (participates in β ladder)trans-70.5-22.4-173.6-153.8100.3000113.5W155W155-L180 PolarHBondContact NE1-O 2.9Å
181F82.6Confident86.3Confident60 Ų6060.3 Ų60.326%0.26333%0.327SS..EExtended strand (participates in β ladder)trans-114.4-19.1-174.1-55.3-70.9000112.8Q134 C136 W155 M156 N179Q134-F181 HydrophobicContact CB-CD1 3.93Å; Q134-F181 HydrophobicContact CB-CE1 3.98Å; C136-F181 WeakPolarHBondContact CB-O 3.14Å; W155-F181 VanDerWaalsContact CD1-C 3.47Å; W155-F181 PolarHBondContact N-O 2.81Å; M156-F181 HydrophobicContact SD-CD1 3.99Å; M156-F181 HydrophobicContact SD-CE1 4.39Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 PolarHBondContact O-N 3.04Å; N179-F181 PolarHBondContact OD1-N 3.13Å
182C84.8Confident85.9Confident4 Ų466.1 Ų66.13%0.02737%0.365CS..EExtended strand (participates in β ladder)trans-101146.2-177.2-54.50000112.2C136 I152 C153 A176 N179C136-C182 HydrophobicContact CB-CB 3.86Å; C136-C182 WeakPolarHBondContact CB-SG 3.29Å; C136-C182 VanDerWaalsContact SG-CA 3.6Å; C136-C182 WeakPolarHBondContact SG-CB 3.25Å; C136-C182 CovalentContact SG-SG 2.01Å; C136-C182 PolarHBondContact SG-SG 2.93Å; I152-C182 HydrophobicContact CG2-CB 4.31Å; C153-C182 CarbonylContact O-C 3.42Å; C153-C182 WeakPolarHBondContact O-CA 3.43Å; A176-C182 VanDerWaalsContact CB-O 3.3Å; A176-C182 WeakPolarHBondContact CB-O 3.47Å; A176-C182 PolarHBondContact N-O 3.45Å; N179-C182 HydrophobicContact CB-CB 3.93Å; N179-C182 VanDerWaalsContact CG-CB 3.47Å; N179-C182 PolarHBondContact ND2-SG 3.25Å; N179-C182 PolarHBondContact OD1-N 3.34Å; N179-C182 VanDerWaalsContact OD1-N 3.15Å; N179-C182 PolarHBondContact OD1-SG 2.83Å; N179-C182 VanDerWaalsContact OD1-SG 3.39Å
183G88.4Confident85.4Confident1 Ų165 Ų651%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-131.9-172.7172.200000112C153 Q174C153-G183 PolarHBondContact N-O 2.62Å; C153-G183 VanDerWaalsContact N-O 3.08Å; C153-G183 PolarHBondContact O-N 2.81Å; Q174-G183 CarbonylContact O-C 3.44Å; Q174-G183 WeakPolarHBondContact O-CA 3.47Å
184R88.1Confident85.2Confident121 Ų12164.9 Ų64.946%0.45737%0.371SS..EExtended strand (participates in β ladder)trans-124.6138.4170.7-69-170.9175.5-81.3-1.9111.1Q150 G151 C153 Q174 Q186Q150-R184 PolarHBondContact O-NH1 3.15Å; G151-R184 WeakPolarHBondContact O-CA 3.39Å; C153-R184 PolarHBondContact SG-N 2.77Å; C153-R184 VanDerWaalsContact SG-N 3.39Å; Q174-R184 PolarHBondContact N-O 3.18Å; Q174-R184 PolarHBondContact O-N 3.04Å; R184-Q186 PolarHBondContact O-N 2.97Å
185W90.3Very high85.2Confident2 Ų261.8 Ų61.81%0.00836%0.358CS..EExtended strand (participates in β ladder)trans-67117.5173.1-72.5126.1000110.7G143 A147 Q148 Q150 G151 C153 D158 A161 L171 C173G143-W185 WeakPolarHBondContact O-CZ2 3.39Å; A147-W185 HydrophobicContact CB-CD2 4.29Å; A147-W185 HydrophobicContact CB-CZ2 4.01Å; Q148-W185 WeakPolarHBondContact O-CB 3.19Å; Q150-W185 PolarHBondContact N-O 3.11Å; G151-W185 PolarHBondContact O-N 3.33Å; C153-W185 HydrophobicContact CB-CD2 3.65Å; C153-W185 HydrophobicContact CB-CE3 4.26Å; C153-W185 HydrophobicContact CB-CG 4.06Å; C153-W185 HydrophobicContact CB-CH2 4.12Å; C153-W185 HydrophobicContact CB-CZ2 3.48Å; C153-W185 VanDerWaalsContact CB-CZ2 3.48Å; C153-W185 HydrophobicContact CB-CZ3 4.48Å; C153-W185 PolarHBondContact SG-N 3.48Å; D158-W185 HydrophobicContact CB-CH2 3.92Å; D158-W185 HydrophobicContact CB-CZ2 4.1Å; D158-W185 WeakPolarHBondContact O-CH2 3.11Å; A161-W185 HydrophobicContact CB-CE3 4.47Å; A161-W185 HydrophobicContact CB-CH2 3.65Å; A161-W185 HydrophobicContact CB-CZ2 3.93Å; A161-W185 HydrophobicContact CB-CZ3 3.93Å; L171-W185 HydrophobicContact CB-CB 4.31Å; L171-W185 HydrophobicContact CB-CD2 4.02Å; L171-W185 HydrophobicContact CB-CE3 3.58Å; L171-W185 HydrophobicContact CB-CG 4.35Å; L171-W185 HydrophobicContact CB-CZ3 4.23Å; L171-W185 HydrophobicContact CD1-CB 4.35Å; L171-W185 HydrophobicContact CD1-CG 4.3Å; L171-W185 HydrophobicContact CD2-CB 4.49Å; C173-W185 HydrophobicContact CB-CE3 3.87Å; C173-W185 HydrophobicContact CB-CH2 4.03Å; C173-W185 HydrophobicContact CB-CZ3 3.59Å; C173-W185 VanDerWaalsContact N-CZ3 3.35Å
186Q92.4Very high85.4Confident39 Ų3958.9 Ų58.918%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-105.8138.1170.7-64.4-50.3-49.800110.3L171 Q172 Q174 R184L171-Q186 CarbonylContact C-O 3.53Å; L171-Q186 VanDerWaalsContact CA-O 3.31Å; L171-Q186 WeakPolarHBondContact CA-O 3.1Å; Q172-Q186 PolarHBondContact N-O 2.89Å; Q172-Q186 PolarHBondContact O-N 3.35Å; Q174-Q186 HydrophobicContact CB-CG 4.23Å; Q174-Q186 HydrophobicContact CG-CB 4.3Å; Q174-Q186 HydrophobicContact CG-CG 3.77Å; R184-Q186 PolarHBondContact O-N 2.97Å
187R93.9Very high85.6Confident79 Ų7959.6 Ų59.630%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-81.5124.2177.5179.7176.7-83.8158.42.3109.6Y149 D163 H169 Y170 L171Y149-R187 HydrophobicContact CD2-CB 3.77Å; Y149-R187 HydrophobicContact CE2-CB 4.14Å; D163-R187 IonicContact OD1-CZ 3.72Å; D163-R187 IonicContact OD1-NE 3.85Å; D163-R187 IonicContact OD1-NH2 2.77Å; D163-R187 PolarHBondContact OD1-NH2 2.79Å; D163-R187 IonicContact OD2-CZ 3.03Å; D163-R187 IonicContact OD2-NE 2.62Å; D163-R187 PolarHBondContact OD2-NE 3Å; D163-R187 IonicContact OD2-NH2 2.83Å; D163-R187 PolarHBondContact OD2-NH2 3.05Å; H169-R187 HydrophobicContact CB-CG 3.75Å; Y170-R187 WeakPolarHBondContact O-CA 3.48Å; L171-R187 HydrophobicContact CD2-CB 4.26Å
188M92.9Very high86Confident54 Ų5456.6 Ų56.627%0.26632%0.316SS..EExtended strand (participates in β ladder)trans-118.2133.9-179.9-60.7-56.8-66.500109.5H169 Y170 Q172H169-M188 CarbonylContact C-O 3.53Å; H169-M188 WeakPolarHBondContact CA-O 3.31Å; H169-M188 WeakPolarHBondContact CB-O 3.43Å; Y170-M188 HydrophobicContact CD1-CB 3.97Å; Y170-M188 WeakPolarHBondContact CD1-O 3.41Å; Y170-M188 HydrophobicContact CD2-CB 3.97Å; Y170-M188 HydrophobicContact CD2-CG 4.44Å; Y170-M188 HydrophobicContact CE1-CB 3.5Å; Y170-M188 HydrophobicContact CE2-CB 3.49Å; Y170-M188 VanDerWaalsContact CE2-CB 3.49Å; Y170-M188 HydrophobicContact CE2-CG 3.83Å; Y170-M188 HydrophobicContact CG-CB 4.19Å; Y170-M188 PolarHBondContact N-O 3.38Å; Y170-M188 PolarHBondContact O-N 2.73Å; Q172-M188 HydrophobicContact CB-CG 3.78Å
189P93.7Very high86.6Confident85 Ų8557.3 Ų57.355%0.55231%0.314SS*.EExtended strand (participates in β ladder)trans-76.3139.9177.431-33.4000111
190C89.2Confident87Confident15 Ų1557.9 Ų57.910%0.10132%0.322CS..PPolyproline II helixtrans-75.8163.5160.3-74.60000110.3T168 T194 C203T168-C190 VanDerWaalsContact O-CB 3.29Å; T168-C190 WeakPolarHBondContact O-CB 3.36Å; T168-C190 PolarHBondContact O-N 2.83Å; C190-T194 WeakPolarHBondContact CB-OG1 3.49Å; C190-C203 VanDerWaalsContact CA-SG 3.51Å; C190-C203 HydrophobicContact CB-CB 3.72Å; C190-C203 WeakPolarHBondContact CB-SG 3.34Å; C190-C203 WeakPolarHBondContact SG-CB 3.43Å; C190-C203 CovalentContact SG-SG 2.05Å; C190-C203 PolarHBondContact SG-SG 2.96Å
191A86.4Confident87.5Confident60 Ų6055.1 Ų55.150%0.49631%0.305SS..PPolyproline II helixtrans-63.5153.8172.800000111G193 T194A191-G193 PolarHBondContact O-N 3.32Å; A191-T194 HydrophobicContact CB-CG2 4.32Å; A191-T194 PolarHBondContact N-OG1 2.94Å; A191-T194 VanDerWaalsContact N-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3.28Å; A191-T194 PolarHBondContact O-OG1 2.76Å
192P86.1Confident87.8Confident123 Ų12355.9 Ų55.980%0.79932%0.315SS*.THydrogen-bonded Turntrans-54132.8177.7-25.634.7000112.3T194P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 3.16Å
193G81.8Confident88Confident45 Ų4557.5 Ų57.546%0.46433%0.326SS..THydrogen-bonded Turntrans785.2-177.900000115.2A191 W205 D206A191-G193 PolarHBondContact O-N 3.32Å; G193-W205 VanDerWaalsContact O-CE3 3.26Å; G193-D206 PolarHBondContact O-N 3.36Å
194T86.3Confident88Confident8 Ų860.1 Ų60.15%0.04934%0.342CS..EExtended strand (participates in β ladder)trans-113.7151.5176.567.90000111.8C190 A191 P192 V204 W205C190-T194 WeakPolarHBondContact CB-OG1 3.49Å; A191-T194 HydrophobicContact CB-CG2 4.32Å; A191-T194 PolarHBondContact N-OG1 2.94Å; A191-T194 VanDerWaalsContact N-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3.28Å; A191-T194 PolarHBondContact O-OG1 2.76Å; P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 3.16Å; T194-V204 CarbonylContact C-O 3.56Å; T194-V204 WeakPolarHBondContact CA-O 3.41Å; T194-V204 VanDerWaalsContact CB-O 3.24Å; T194-V204 WeakPolarHBondContact CB-O 3.08Å; T194-W205 HydrophobicContact CG2-CD2 3.94Å; T194-W205 HydrophobicContact CG2-CE3 3.86Å; T194-W205 HydrophobicContact CG2-CG 4.47Å; T194-W205 HydrophobicContact CG2-CH2 4.42Å; T194-W205 HydrophobicContact CG2-CZ3 4.1Å
195V89.1Confident88Confident23 Ų2361.8 Ų61.814%0.13935%0.348CS..EExtended strand (participates in β ladder)trans-126.6147.2178.3-69.70000109.8R167 D197 C203 V204 D206R167-V195 HydrophobicContact CB-CB 4.38Å; R167-V195 HydrophobicContact CB-CG1 3.93Å; R167-V195 VanDerWaalsContact O-CA 3.22Å; R167-V195 WeakPolarHBondContact O-CA 3.44Å; R167-V195 WeakPolarHBondContact O-CB 3Å; V195-D197 PolarHBondContact O-N 2.84Å; V195-C203 CarbonylContact O-C 3.52Å; V195-C203 WeakPolarHBondContact O-CA 3.45Å; V195-V204 HydrophobicContact CG2-CG2 4.34Å; V195-V204 PolarHBondContact N-O 3.06Å; V195-V204 PolarHBondContact O-N 3.49Å; V195-D206 HydrophobicContact CB-CB 4.48Å; V195-D206 HydrophobicContact CG1-CB 3.82Å; V195-D206 HydrophobicContact CG2-CB 3.89Å
196F90.5Very high87.6Confident20 Ų2063.5 Ų63.59%0.08836%0.357CS..EExtended strand (participates in β ladder)trans-75.3124.4-179.8-174.9-107000111.3L160 T162 R167 Y170L160-F196 HydrophobicContact CB-CE2 4.45Å; L160-F196 HydrophobicContact CB-CZ 3.84Å; L160-F196 HydrophobicContact CD1-CE2 4.27Å; L160-F196 HydrophobicContact CD1-CZ 4.33Å; T162-F196 HydrophobicContact CG2-CD1 3.78Å; T162-F196 HydrophobicContact CG2-CE1 4.23Å; R167-F196 PolarHBondContact O-N 3.39Å; R167-F196 VanDerWaalsContact O-N 3.1Å; Y170-F196 VanDerWaalsContact CB-CD2 3.49Å; Y170-F196 VanDerWaalsContact CB-CG 3.4Å; Y170-F196 HydrophobicContact CD1-CD2 4.16Å; Y170-F196 HydrophobicContact CD2-CD2 4.49Å; Y170-F196 HydrophobicContact CD2-CE2 4.35Å; Y170-F196 AromaticContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CD2 3.82Å; Y170-F196 HydrophobicContact CG-CE2 4.12Å; Y170-F196 HydrophobicContact CG-CG 4.24Å
197D85.7Confident86.8Confident45 Ų4567.9 Ų67.924%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-99.2121.2171.5173.642.3000110.6V195 Q199 S200 Q201 V202 V204V195-D197 PolarHBondContact O-N 2.84Å; D197-Q199 VanDerWaalsContact C-N 3.3Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 PolarHBondContact OD1-N 2.01Å; D197-S200 WeakPolarHBondContact CB-OG 3.11Å; D197-S200 VanDerWaalsContact OD2-CB 3.24Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-N 3.49Å; D197-S200 PolarHBondContact OD2-OG 3.2Å; D197-Q201 WeakPolarHBondContact O-CA 3.44Å; D197-Q201 PolarHBondContact O-N 3.39Å; D197-V202 PolarHBondContact N-O 3.08Å; D197-V202 PolarHBondContact O-N 3.15Å; D197-V204 HydrophobicContact CB-CG1 4.29Å; D197-V204 HydrophobicContact CB-CG2 3.87Å
198V83.4Confident85.6Confident66 Ų6670.6 Ų70.640%0.441%0.407SS..THydrogen-bonded Turntrans-69.5-29-177.6710000112.4T162 Q201T162-V198 HydrophobicContact CG2-CB 3.82Å; T162-V198 HydrophobicContact CG2-CG2 4.3Å; V198-Q201 PolarHBondContact O-NE2 3.28Å
199Q83.9Confident83.8Confident176 Ų17670.9 Ų70.982%0.82241%0.414SS*.THydrogen-bonded Turntrans-74.1-44.4-177.4-75.2175.1-35.200111.4D197D197-Q199 VanDerWaalsContact C-N 3.3Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 PolarHBondContact OD1-N 2.01Å
200S82.6Confident81.6Confident60 Ų6075.5 Ų75.542%0.4243%0.429SS..THydrogen-bonded Turntrans-89-7.7177.460.20000114D197 V202D197-S200 WeakPolarHBondContact CB-OG 3.11Å; D197-S200 VanDerWaalsContact OD2-CB 3.24Å; D197-S200 WeakPolarHBondContact OD2-CB 3.27Å; D197-S200 PolarHBondContact OD2-N 3.49Å; D197-S200 PolarHBondContact OD2-OG 3.2Å; S200-V202 PolarHBondContact O-N 3.49Å; S200-V202 VanDerWaalsContact OG-CG1 3.31Å; S200-V202 WeakPolarHBondContact OG-CG1 2.99Å
201Q86.3Confident79.5Confident71 Ų7181 Ų8133%0.33246%0.464SS..THydrogen-bonded Turntrans56.133.7-179.4-64.4-81-60.300112.5L160 D197 V198L160-Q201 HydrophobicContact CD1-CB 4.32Å; L160-Q201 WeakPolarHBondContact CD1-O 3.35Å; D197-Q201 WeakPolarHBondContact O-CA 3.44Å; D197-Q201 PolarHBondContact O-N 3.39Å; V198-Q201 PolarHBondContact O-NE2 3.28Å
202V88.1Confident77.8Confident76 Ų7681 Ų8146%0.46147%0.47SS..EExtended strand (participates in β ladder)trans-144.6156.9-177.865.70000111.1D197 S200 V204D197-V202 PolarHBondContact N-O 3.08Å; D197-V202 PolarHBondContact O-N 3.15Å; S200-V202 PolarHBondContact O-N 3.49Å; S200-V202 VanDerWaalsContact OG-CG1 3.31Å; S200-V202 WeakPolarHBondContact OG-CG1 2.99Å; V202-V204 HydrophobicContact CG1-CG1 4.05Å
203C88.3Confident75.6Confident38 Ų3881.8 Ų81.826%0.25747%0.473SS..EExtended strand (participates in β ladder)trans-76.5124.5171-56.30000110.2C190 V195C190-C203 VanDerWaalsContact CA-SG 3.51Å; C190-C203 HydrophobicContact CB-CB 3.72Å; C190-C203 WeakPolarHBondContact CB-SG 3.34Å; C190-C203 WeakPolarHBondContact SG-CB 3.43Å; C190-C203 CovalentContact SG-SG 2.05Å; C190-C203 PolarHBondContact SG-SG 2.96Å; V195-C203 CarbonylContact O-C 3.52Å; V195-C203 WeakPolarHBondContact O-CA 3.45Å
204V89.6Confident73.6Confident57 Ų5786.8 Ų86.835%0.34549%0.488SS..EExtended strand (participates in β ladder)trans-117.4158.6179.7-61.10000110.4T194 V195 D197 V202 D206T194-V204 CarbonylContact C-O 3.56Å; T194-V204 WeakPolarHBondContact CA-O 3.41Å; T194-V204 VanDerWaalsContact CB-O 3.24Å; T194-V204 WeakPolarHBondContact CB-O 3.08Å; V195-V204 HydrophobicContact CG2-CG2 4.34Å; V195-V204 PolarHBondContact N-O 3.06Å; V195-V204 PolarHBondContact O-N 3.49Å; D197-V204 HydrophobicContact CB-CG1 4.29Å; D197-V204 HydrophobicContact CB-CG2 3.87Å; V202-V204 HydrophobicContact CG1-CG1 4.05Å; V204-D206 PolarHBondContact O-N 3.44Å
205W86.8Confident71.6Confident156 Ų15691.9 Ų91.959%0.59152%0.522SS*.EExtended strand (participates in β ladder)trans-61.7134.1176-69105.6000111.3G193 T194 T207 Y220G193-W205 VanDerWaalsContact O-CE3 3.26Å; T194-W205 HydrophobicContact CG2-CD2 3.94Å; T194-W205 HydrophobicContact CG2-CE3 3.86Å; T194-W205 HydrophobicContact CG2-CG 4.47Å; T194-W205 HydrophobicContact CG2-CH2 4.42Å; T194-W205 HydrophobicContact CG2-CZ3 4.1Å; W205-T207 PolarHBondContact O-N 2.69Å; W205-T207 VanDerWaalsContact O-N 3.08Å; W205-Y220 HydrophobicContact CZ2-CE2 4.44Å
206D82.6Confident69.3Low38 Ų3897 Ų9720%0.20355%0.553CS.*  trans-7699.1179.3-176.66.4000110.8G193 V195 V204 N208 S209G193-D206 PolarHBondContact O-N 3.36Å; V195-D206 HydrophobicContact CB-CB 4.48Å; V195-D206 HydrophobicContact CG1-CB 3.82Å; V195-D206 HydrophobicContact CG2-CB 3.89Å; V204-D206 PolarHBondContact O-N 3.44Å; D206-N208 PolarHBondContact O-N 2.96Å; D206-N208 WeakPolarHBondContact OD1-CB 3.44Å; D206-N208 PolarHBondContact OD1-N 3.01Å; D206-S209 WeakPolarHBondContact CB-OG 3.41Å; D206-S209 PolarHBondContact O-N 3.2Å; D206-S209 PolarHBondContact O-OG 2.86Å; D206-S209 WeakPolarHBondContact OD2-CB 3.21Å
207T75.6Confident66.8Low130 Ų130101.5 Ų101.580%0.79858%0.584SS**THydrogen-bonded Turntrans-67.1-12.8179.157.50000113.7W205W205-T207 PolarHBondContact O-N 2.69Å; W205-T207 VanDerWaalsContact O-N 3.08Å
208N68.4Low64.7Low137 Ų137103.2 Ų103.273%0.73361%0.605SS**THydrogen-bonded Turntrans-96.6-9.5177.9-65.1-53.1000113.1D206D206-N208 PolarHBondContact O-N 2.96Å; D206-N208 WeakPolarHBondContact OD1-CB 3.44Å; D206-N208 PolarHBondContact OD1-N 3.01Å
209S54.9Low62.5Low59 Ų59104.8 Ų104.841%0.41362%0.616SS.*SBendtrans-79.9126.5172.761.30000109.8D206D206-S209 WeakPolarHBondContact CB-OG 3.41Å; D206-S209 PolarHBondContact O-N 3.2Å; D206-S209 PolarHBondContact O-OG 2.86Å; D206-S209 WeakPolarHBondContact OD2-CB 3.21Å
210Q48.7Very low60.2Low182 Ų182105.2 Ų105.285%0.8561%0.612SS**  trans-51.6144173.3-86.3177.5-29.300109.8G212Q210-G212 PolarHBondContact O-N 3.48Å
211P44.8Very low58.2Low130 Ų130106 Ų10684%0.84461%0.614SS**  trans-65.884.6178.626.6-32.5000110
212G51Low55.6Low61 Ų61106 Ų10663%0.62962%0.621SS**  trans-63.5138.2161.300000108.1Q210 L214Q210-G212 PolarHBondContact O-N 3.48Å; G212-L214 PolarHBondContact O-N 3.08Å; G212-L214 VanDerWaalsContact O-N 3.15Å
213T39.4Very low53.3Low139 Ų139109.1 Ų109.185%0.85364%0.641SS**  trans-37.3118.8-178.948.70000111.7P215T213-P215 WeakPolarHBondContact O-CD 3.38Å
214L40.4Very low50.8Low150 Ų150115 Ų11579%0.78566%0.664SS**  trans-47.5122.3173.2-87.687.3000109.1G212 T216G212-L214 PolarHBondContact O-N 3.08Å; G212-L214 VanDerWaalsContact O-N 3.15Å; L214-T216 PolarHBondContact O-N 2.85Å
215P42.8Very low48.2Very low116 Ų116116.3 Ų116.375%0.75368%0.682SS**  trans-61.7130.1150.226.5-27000106.6T213T213-P215 WeakPolarHBondContact O-CD 3.38Å
216T42.5Very low45.9Very low131 Ų131114.1 Ų114.180%0.80469%0.688SS**  trans-40.9132.7176.8-50000110.2L214 A218L214-T216 PolarHBondContact O-N 2.85Å; T216-A218 PolarHBondContact O-N 3.16Å
217P37.5Very low43.9Very low113 Ų113121.8 Ų121.873%0.73472%0.722SS**  trans-59.5110.6-172.621.7-31.4000110.1
218A41.4Very low42.3Very low81 Ų81121.5 Ų121.567%0.66972%0.716SS**  trans-64.3135.8154.500000106.9T216 Y220T216-A218 PolarHBondContact O-N 3.16Å; A218-Y220 PolarHBondContact O-N 3.34Å
219P36.1Very low41.4Very low99 Ų99119.9 Ų119.964%0.64372%0.722SS**  trans-58.3115.8-176.821.4-30.6000109.9V221P219-V221 PolarHBondContact O-N 2.91Å
220Y36.9Very low41.5Very low186 Ų186122.5 Ų122.573%0.72973%0.727SS**  trans-62121.8179.2-145-99.3000109.1W205 A218 S222W205-Y220 HydrophobicContact CZ2-CE2 4.44Å; A218-Y220 PolarHBondContact O-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.27Å
221V39.7Very low42.3Very low76 Ų76115.2 Ų115.246%0.46170%0.696SS.*  trans-88.4102.1165.6-177.20000106.7P219 T223P219-V221 PolarHBondContact O-N 2.91Å; V221-T223 PolarHBondContact O-N 2.7Å
222S33.1Very low43.6Very low71 Ų71111.6 Ų111.650%0.49768%0.682SS.*  trans-61.8128171-178.30000110Y220 Q224Y220-S222 PolarHBondContact O-N 3.27Å; S222-Q224 VanDerWaalsContact C-N 3.31Å; S222-Q224 PolarHBondContact OG-N 3.02Å
223T39.8Very low44.9Very low141 Ų141109.9 Ų109.987%0.86566%0.66SS**  trans-90.914.1168.643.20000112.9V221 A225V221-T223 PolarHBondContact O-N 2.7Å; T223-A225 PolarHBondContact O-N 3.39Å
224Q33.9Very low46.6Very low161 Ų161108.9 Ų108.975%0.75265%0.654SS**  trans-65.4107.7159.8-79.3178.3-27.600107.4S222 P226S222-Q224 VanDerWaalsContact C-N 3.31Å; S222-Q224 PolarHBondContact OG-N 3.02Å; Q224-P226 WeakPolarHBondContact O-CD 3.33Å; Q224-P226 VanDerWaalsContact O-N 3.15Å
225A36.8Very low48.2Very low86 Ų86105.4 Ų105.471%0.71166%0.655SS**  trans-60.4111.616400000108T223T223-A225 PolarHBondContact O-N 3.39Å
226P37Very low49.7Very low110 Ų110101 Ų10171%0.71463%0.63SS**  trans-73.2130.7157.80.121.8000105.1Q224 N228Q224-P226 WeakPolarHBondContact O-CD 3.33Å; Q224-P226 VanDerWaalsContact O-N 3.15Å; P226-N228 PolarHBondContact O-N 2.88Å
227Q41.9Very low51.5Low198 Ų19899.4 Ų99.493%0.92562%0.62SS**SBendtrans-65.743.6172.5-70.2-99.2-23.600112.2
228N41Very low53.6Low124 Ų12498.6 Ų98.666%0.66361%0.607SS**  trans-120.391179.9-138.68.6000110.9P226 Q230P226-N228 PolarHBondContact O-N 2.88Å; N228-Q230 PolarHBondContact O-N 2.99Å
229A48.8Very low55.4Low104 Ų10499 Ų9986%0.8660%0.596SS**  trans-76.670.3-173.300000112.9
230Q57.6Low57.5Low114 Ų11495.6 Ų95.653%0.53358%0.58SS.*  trans-125.4-5.9-176.8-93170.3-24.900116.1N228 N259N228-Q230 PolarHBondContact O-N 2.99Å; Q230-N259 WeakPolarHBondContact CB-ND2 3.35Å; Q230-N259 PolarHBondContact O-ND2 3.09Å
231C65.4Low59.7Low29 Ų2989.9 Ų89.920%0.19657%0.567CS.*SBendtrans-132122.7164.1-76.40000110.8Q238 C264 V266C231-Q238 PolarHBondContact O-OE1 2.86Å; C231-C264 HydrophobicContact CB-CB 3.64Å; C231-C264 WeakPolarHBondContact CB-SG 3.28Å; C231-C264 WeakPolarHBondContact SG-CB 3.48Å; C231-C264 CovalentContact SG-SG 1.99Å; C231-C264 PolarHBondContact SG-SG 3.1Å; C231-V266 HydrophobicContact CB-CG1 4.07Å
232G72.8Confident61.7Low53 Ų5386.9 Ų86.955%0.54655%0.549SS..  trans-133169-172.800000112.6
233C78.9Confident63.8Low25 Ų2586 Ų8617%0.16954%0.539CS..  trans-87.5128-179.1-65.60000111.6G235 G236 Q238 C268C233-G235 PolarHBondContact O-N 3.17Å; C233-G236 WeakPolarHBondContact CB-O 3.07Å; C233-Q238 WeakPolarHBondContact SG-CA 3.3Å; C233-C268 WeakPolarHBondContact CA-SG 3.43Å; C233-C268 HydrophobicContact CB-CB 3.67Å; C233-C268 WeakPolarHBondContact CB-SG 3.18Å; C233-C268 WeakPolarHBondContact SG-CA 2.99Å; C233-C268 WeakPolarHBondContact SG-CB 3.34Å; C233-C268 CovalentContact SG-SG 2.02Å; C233-C268 PolarHBondContact SG-SG 3.3Å
234T75.4Confident65.6Low118 Ų11886.4 Ų86.472%0.72453%0.531SS*.SBendtrans-77.997.1174.6-53.20000109.5F270T234-F270 VanDerWaalsContact O-CE1 3.26Å; T234-F270 WeakPolarHBondContact O-CE1 3.48Å
235G72.1Confident67.8Low78 Ų7884.1 Ų84.180%0.80452%0.524SS*.SBendtrans84.211.2176.500000115.8C233 F270C233-G235 PolarHBondContact O-N 3.17Å; G235-F270 WeakPolarHBondContact O-CD1 3.45Å; G235-F270 WeakPolarHBondContact O-CE1 2.97Å
236G75.8Confident70Confident23 Ų2386.3 Ų86.324%0.23752%0.515CS..SBendtrans-133.2176.3-179.400000112.3C233 Y269C233-G236 WeakPolarHBondContact CB-O 3.07Å; G236-Y269 WeakPolarHBondContact CA-O 3.26Å
237V80.5Confident71.9Confident97 Ų9787.1 Ų87.159%0.58851%0.509SS*.EExtended strand (participates in β ladder)trans-97.4129174.9-178.90000109.1I239 C268 Y269V237-I239 HydrophobicContact CG1-CG2 4.46Å; V237-I239 PolarHBondContact O-N 2.88Å; V237-C268 WeakPolarHBondContact O-CA 2.88Å; V237-Y269 PolarHBondContact N-O 2.76Å; V237-Y269 PolarHBondContact O-N 2.01Å
238Q80.5Confident73.8Confident97 Ų9779 Ų7945%0.45347%0.473SS..EExtended strand (participates in β ladder)trans-72.2122.5172.8-176.6178.6-2.800109.4C231 C233 V266C231-Q238 PolarHBondContact O-OE1 2.86Å; C233-Q238 WeakPolarHBondContact SG-CA 3.3Å; Q238-V266 HydrophobicContact CG-CB 4.42Å
239I79.2Confident75.6Confident88 Ų8877.6 Ų77.645%0.45147%0.471SS..EExtended strand (participates in β ladder)trans-114.5-6.1179.664.3161.8000112.8V237 P249 S252 C267V237-I239 HydrophobicContact CG1-CG2 4.46Å; V237-I239 PolarHBondContact O-N 2.88Å; I239-P249 HydrophobicContact CD1-CG 4.46Å; I239-S252 VanDerWaalsContact CD1-CB 3.42Å; I239-S252 WeakPolarHBondContact CD1-OG 3.34Å; I239-C267 HydrophobicContact CG1-CB 3.94Å; I239-C267 WeakPolarHBondContact CG1-O 3.46Å; I239-C267 PolarHBondContact N-O 3.41Å
240G80.5Confident77.2Confident29 Ų2976.4 Ų76.430%0.29947%0.469SS..EExtended strand (participates in β ladder)trans165.9-163.1178.600000112.9C267G240-C267 PolarHBondContact O-N 3.13Å
241S83.6Confident78.3Confident65 Ų6577.7 Ų77.746%0.45548%0.475SS..EExtended strand (participates in β ladder)trans-112.3147.3175.8-57.70000110.5M265 C267S241-M265 WeakPolarHBondContact CA-O 3.02Å; S241-M265 WeakPolarHBondContact CB-O 2.98Å; S241-C267 PolarHBondContact O-SG 3.49Å; S241-C267 VanDerWaalsContact O-SG 3.41Å
242C81Confident79.2Confident13 Ų1377 Ų779%0.08847%0.471CS..  trans-79.4157178.4-33.10000111.5C254 M265 V266C242-C254 HydrophobicContact CB-CB 3.82Å; C242-C254 WeakPolarHBondContact CB-SG 3.38Å; C242-C254 WeakPolarHBondContact SG-CA 3.47Å; C242-C254 WeakPolarHBondContact SG-CB 2.95Å; C242-C254 CovalentContact SG-SG 2.01Å; C242-C254 PolarHBondContact SG-SG 3.33Å; C242-M265 HydrophobicContact CB-CB 3.89Å; C242-M265 PolarHBondContact N-O 2.85Å; C242-M265 VanDerWaalsContact SG-C 3.53Å; C242-V266 PolarHBondContact SG-N 2.89Å; C242-V266 VanDerWaalsContact SG-N 3.44Å; C242-V266 PolarHBondContact SG-O 3.33Å; C242-V266 VanDerWaalsContact SG-O 3.34Å
243N77.3Confident79.8Confident52 Ų5278.4 Ų78.428%0.27847%0.468SS..  trans-77.1173.3164.971.28.4000111.4N245 Y246 Q247N243-N245 PolarHBondContact O-N 3.49Å; N243-N245 VanDerWaalsContact OD1-C 3.3Å; N243-N245 WeakPolarHBondContact OD1-CA 3.41Å; N243-N245 WeakPolarHBondContact OD1-CB 3.38Å; N243-N245 PolarHBondContact OD1-N 3.48Å; N243-Y246 PolarHBondContact O-N 3.32Å; N243-Y246 PolarHBondContact OD1-N 2.86Å; N243-Q247 PolarHBondContact N-O 2.95Å; N243-Q247 PolarHBondContact OD1-N 2.77Å
244Q77.4Confident80Confident151 Ų15178.3 Ų78.371%0.70647%0.468SS*.THydrogen-bonded Turntrans-60.7-14.6177.1-66.4-178.90.700114
245N80.5Confident80.4Confident112 Ų11275 Ų7560%0.59944%0.444SS*.THydrogen-bonded Turntrans-96.512.6177.2-62.3-39.5000112.8N243 Q247N243-N245 PolarHBondContact O-N 3.49Å; N243-N245 VanDerWaalsContact OD1-C 3.3Å; N243-N245 WeakPolarHBondContact OD1-CA 3.41Å; N243-N245 WeakPolarHBondContact OD1-CB 3.38Å; N243-N245 PolarHBondContact OD1-N 3.48Å; N245-Q247 PolarHBondContact O-N 3.15Å
246Y83.6Confident80.8Confident133 Ų13375 Ų7552%0.52243%0.428SS..  trans58.526.5-178.4-52.8-83.6000114.4N243 C254 V256 M265N243-Y246 PolarHBondContact O-N 3.32Å; N243-Y246 PolarHBondContact OD1-N 2.86Å; Y246-C254 VanDerWaalsContact O-CB 3.31Å; Y246-C254 WeakPolarHBondContact O-CB 2.95Å; Y246-V256 HydrophobicContact CD1-CG2 3.8Å; Y246-V256 HydrophobicContact CE1-CG2 3.47Å; Y246-V256 VanDerWaalsContact CE1-CG2 3.47Å; Y246-M265 HydrophobicContact CD1-SD 4.11Å; Y246-M265 HydrophobicContact CE1-CG 4.46Å; Y246-M265 HydrophobicContact CE1-SD 3.73Å
247Q76.8Confident80.6Confident127 Ų12775.3 Ų75.359%0.59343%0.431SS*.  trans-95.5140.3178.4-74.116013.400111.4N243 N245N243-Q247 PolarHBondContact N-O 2.95Å; N243-Q247 PolarHBondContact OD1-N 2.77Å; N245-Q247 PolarHBondContact O-N 3.15Å
248C82Confident79.9Confident26 Ų2678 Ų7818%0.17644%0.438CS..  trans-133.8151.2178.4-67.90000110.3S252 C267C248-S252 WeakPolarHBondContact CB-OG 3.39Å; C248-C267 VanDerWaalsContact CA-SG 3.58Å; C248-C267 HydrophobicContact CB-CB 3.62Å; C248-C267 WeakPolarHBondContact CB-SG 3.23Å; C248-C267 WeakPolarHBondContact SG-CA 3.21Å; C248-C267 WeakPolarHBondContact SG-CB 3.21Å; C248-C267 CovalentContact SG-SG 2.03Å; C248-C267 PolarHBondContact SG-SG 3.19Å
249P78.9Confident79.1Confident95 Ų9576 Ų7662%0.61743%0.43SS*.SBendtrans-69.8142.5-176.526.7-33.4000112.5I239 S252I239-P249 HydrophobicContact CD1-CG 4.46Å; P249-S252 PolarHBondContact O-N 2.87Å; P249-S252 PolarHBondContact O-OG 3Å
250G80.5Confident78Confident80 Ų8076.6 Ų76.683%0.82545%0.448SS*.THydrogen-bonded Turntrans67.3-130.2174.900000113.4
251Q80.4Confident77Confident141 Ų14178.7 Ų78.766%0.65947%0.47SS*.THydrogen-bonded Turntrans-98.918-179.5-58.6-165.38.200113.6Y269Q251-Y269 HydrophobicContact CB-CE2 4.15Å
252S86.1Confident75.8Confident14 Ų1483.1 Ų83.110%0.09848%0.484CS..  trans-79.8153.7177.356.80000111.4I239 C248 P249 C268I239-S252 VanDerWaalsContact CD1-CB 3.42Å; I239-S252 WeakPolarHBondContact CD1-OG 3.34Å; C248-S252 WeakPolarHBondContact CB-OG 3.39Å; P249-S252 PolarHBondContact O-N 2.87Å; P249-S252 PolarHBondContact O-OG 3Å; S252-C268 CarbonylContact C-O 3.48Å; S252-C268 WeakPolarHBondContact CA-O 3Å; S252-C268 WeakPolarHBondContact CB-O 3.23Å
253V84.2Confident75.2Confident82 Ų8288.9 Ų88.950%0.49751%0.509SS..EExtended strand (participates in β ladder)trans-115.4134.6-179-177.40000108.3Q255 C268V253-Q255 PolarHBondContact O-N 2.03Å; V253-C268 PolarHBondContact N-O 3.13Å; V253-C268 PolarHBondContact O-N 3.23Å
254C84Confident75.1Confident23 Ų2387.6 Ų87.616%0.15550%0.504CS..EExtended strand (participates in β ladder)trans-73.4120.8173.5-173.80000110.7C242 Y246 V266C242-C254 HydrophobicContact CB-CB 3.82Å; C242-C254 WeakPolarHBondContact CB-SG 3.38Å; C242-C254 WeakPolarHBondContact SG-CA 3.47Å; C242-C254 WeakPolarHBondContact SG-CB 2.95Å; C242-C254 CovalentContact SG-SG 2.01Å; C242-C254 PolarHBondContact SG-SG 3.33Å; Y246-C254 VanDerWaalsContact O-CB 3.31Å; Y246-C254 WeakPolarHBondContact O-CB 2.95Å; C254-V266 WeakPolarHBondContact CA-O 3.05Å
255Q83.1Confident75.3Confident50 Ų5082.9 Ų82.923%0.23448%0.483CS..EExtended strand (participates in β ladder)trans-105.6132.4169.4-70.8-169.2-30.200109.8V253 M265 V266 C268V253-Q255 PolarHBondContact O-N 2.03Å; Q255-M265 WeakPolarHBondContact O-CA 3.1Å; Q255-V266 HydrophobicContact CB-CG2 4.26Å; Q255-V266 PolarHBondContact N-O 2.87Å; Q255-V266 PolarHBondContact O-N 2.87Å; Q255-C268 HydrophobicContact CG-CB 4.28Å; Q255-C268 PolarHBondContact OE1-SG 3.05Å
256V79.9Confident75.6Confident77 Ų7778 Ų7847%0.46746%0.457SS..EExtended strand (participates in β ladder)trans-102.4123177.8-166.20000108.2Y246 C264 M265Y246-V256 HydrophobicContact CD1-CG2 3.8Å; Y246-V256 HydrophobicContact CE1-CG2 3.47Å; Y246-V256 VanDerWaalsContact CE1-CG2 3.47Å; V256-C264 CarbonylContact C-O 3.56Å; V256-C264 WeakPolarHBondContact CA-O 3.49Å; V256-M265 HydrophobicContact CG1-CG 4.14Å; V256-M265 HydrophobicContact CG2-CG 4.27Å
257G73.4Confident75.7Confident29 Ų2971.7 Ų71.730%0.29943%0.432SS..EExtended strand (participates in β ladder)trans-118.1170.7172.900000111.5C264G257-C264 VanDerWaalsContact CA-SG 3.59Å; G257-C264 PolarHBondContact N-O 2.94Å; G257-C264 PolarHBondContact O-N 2.78Å; G257-C264 PolarHBondContact O-SG 3.34Å; G257-C264 VanDerWaalsContact O-SG 3.36Å
258Q64.9Low76.1Confident154 Ų15465.6 Ų65.672%0.7240%0.404SS*.EExtended strand (participates in β ladder)trans-119.7126.8167.8-83-179.1-8.400108.8Q263Q258-Q263 HydrophobicContact CG-CG 4.38Å
259N62.7Low76.3Confident54 Ų5468.7 Ų68.729%0.28941%0.412SS..EExtended strand (participates in β ladder)trans-126.5123.8169.6-163.2-73.4000109.4Q230 G261 Q262Q230-N259 WeakPolarHBondContact CB-ND2 3.35Å; Q230-N259 PolarHBondContact O-ND2 3.09Å; N259-G261 PolarHBondContact O-N 2.85Å; N259-G261 VanDerWaalsContact O-N 3.08Å; N259-Q262 PolarHBondContact N-O 2.89Å; N259-Q262 PolarHBondContact O-N 2.03Å
260A56.6Low76.5Confident101 Ų10167.4 Ų67.484%0.83540%0.397SS*.THydrogen-bonded Turntrans49.136.9178.400000114.9Q262A260-Q262 VanDerWaalsContact C-N 3.31Å; A260-Q262 PolarHBondContact O-N 2.8Å
261G59.9Low76Confident74 Ų7474.4 Ų74.476%0.76340%0.399SS*.THydrogen-bonded Turntrans82.7-1.6179.800000115.3N259N259-G261 PolarHBondContact O-N 2.85Å; N259-G261 VanDerWaalsContact O-N 3.08Å
262Q58.9Low75.2Confident158 Ų15876.2 Ų76.274%0.73840%0.404SS*.EExtended strand (participates in β ladder)trans-102.9132.6170.7-64.2-156.4-1400111.2N259 A260N259-Q262 PolarHBondContact N-O 2.89Å; N259-Q262 PolarHBondContact O-N 2.03Å; A260-Q262 VanDerWaalsContact C-N 3.31Å; A260-Q262 PolarHBondContact O-N 2.8Å
263Q67.3Low73.7Confident133 Ų13385.3 Ų85.362%0.62144%0.442SS*.EExtended strand (participates in β ladder)trans-72129.1174.8-68.6-179.5-1900109.3Q258Q258-Q263 HydrophobicContact CG-CG 4.38Å
264C75.2Confident71.9Confident26 Ų2686 Ų8618%0.17646%0.456CS..EExtended strand (participates in β ladder)trans-117.3140.9175.963.80000110C231 V256 G257C231-C264 HydrophobicContact CB-CB 3.64Å; C231-C264 WeakPolarHBondContact CB-SG 3.28Å; C231-C264 WeakPolarHBondContact SG-CB 3.48Å; C231-C264 CovalentContact SG-SG 1.99Å; C231-C264 PolarHBondContact SG-SG 3.1Å; V256-C264 CarbonylContact C-O 3.56Å; V256-C264 WeakPolarHBondContact CA-O 3.49Å; G257-C264 VanDerWaalsContact CA-SG 3.59Å; G257-C264 PolarHBondContact N-O 2.94Å; G257-C264 PolarHBondContact O-N 2.78Å; G257-C264 PolarHBondContact O-SG 3.34Å; G257-C264 VanDerWaalsContact O-SG 3.36Å
265M82.3Confident70.3Confident52 Ų5295.5 Ų95.526%0.25649%0.489SS..EExtended strand (participates in β ladder)trans-125.5113.7-177.2-68.1178.8-90.400109S241 C242 Y246 Q255 V256S241-M265 WeakPolarHBondContact CA-O 3.02Å; S241-M265 WeakPolarHBondContact CB-O 2.98Å; C242-M265 HydrophobicContact CB-CB 3.89Å; C242-M265 PolarHBondContact N-O 2.85Å; C242-M265 VanDerWaalsContact SG-C 3.53Å; Y246-M265 HydrophobicContact CD1-SD 4.11Å; Y246-M265 HydrophobicContact CE1-CG 4.46Å; Y246-M265 HydrophobicContact CE1-SD 3.73Å; Q255-M265 WeakPolarHBondContact O-CA 3.1Å; V256-M265 HydrophobicContact CG1-CG 4.14Å; V256-M265 HydrophobicContact CG2-CG 4.27Å
266V86.4Confident68.7Low8 Ų8104.8 Ų104.85%0.04852%0.522CS..EExtended strand (participates in β ladder)trans-121.4139.5-175-66.30000112C231 Q238 C242 C254 Q255C231-V266 HydrophobicContact CB-CG1 4.07Å; Q238-V266 HydrophobicContact CG-CB 4.42Å; C242-V266 PolarHBondContact SG-N 2.89Å; C242-V266 VanDerWaalsContact SG-N 3.44Å; C242-V266 PolarHBondContact SG-O 3.33Å; C242-V266 VanDerWaalsContact SG-O 3.34Å; C254-V266 WeakPolarHBondContact CA-O 3.05Å; Q255-V266 HydrophobicContact CB-CG2 4.26Å; Q255-V266 PolarHBondContact N-O 2.87Å; Q255-V266 PolarHBondContact O-N 2.87Å
267C85.8Confident66.9Low1 Ų1113.6 Ų113.61%0.00755%0.554CS.*EExtended strand (participates in β ladder)trans-86.9118176.5-66.70000110.3I239 G240 S241 C248I239-C267 HydrophobicContact CG1-CB 3.94Å; I239-C267 WeakPolarHBondContact CG1-O 3.46Å; I239-C267 PolarHBondContact N-O 3.41Å; G240-C267 PolarHBondContact O-N 3.13Å; S241-C267 PolarHBondContact O-SG 3.49Å; S241-C267 VanDerWaalsContact O-SG 3.41Å; C248-C267 VanDerWaalsContact CA-SG 3.58Å; C248-C267 HydrophobicContact CB-CB 3.62Å; C248-C267 WeakPolarHBondContact CB-SG 3.23Å; C248-C267 WeakPolarHBondContact SG-CA 3.21Å; C248-C267 WeakPolarHBondContact SG-CB 3.21Å; C248-C267 CovalentContact SG-SG 2.03Å; C248-C267 PolarHBondContact SG-SG 3.19Å
268C86.3Confident66.6Low0 Ų0117.9 Ų117.90%057%0.567CS.*EExtended strand (participates in β ladder)trans-114.7124.6-173.6-620000111.3C233 V237 S252 V253 Q255 F270C233-C268 WeakPolarHBondContact CA-SG 3.43Å; C233-C268 HydrophobicContact CB-CB 3.67Å; C233-C268 WeakPolarHBondContact CB-SG 3.18Å; C233-C268 WeakPolarHBondContact SG-CA 2.99Å; C233-C268 WeakPolarHBondContact SG-CB 3.34Å; C233-C268 CovalentContact SG-SG 2.02Å; C233-C268 PolarHBondContact SG-SG 3.3Å; V237-C268 WeakPolarHBondContact O-CA 2.88Å; S252-C268 CarbonylContact C-O 3.48Å; S252-C268 WeakPolarHBondContact CA-O 3Å; S252-C268 WeakPolarHBondContact CB-O 3.23Å; V253-C268 PolarHBondContact N-O 3.13Å; V253-C268 PolarHBondContact O-N 3.23Å; Q255-C268 HydrophobicContact CG-CB 4.28Å; Q255-C268 PolarHBondContact OE1-SG 3.05Å; C268-F270 HydrophobicContact CB-CD2 4.47Å; C268-F270 HydrophobicContact CB-CE2 3.63Å; C268-F270 HydrophobicContact CB-CZ 3.99Å
269Y85.8Confident66.7Low90 Ų90115.9 Ų115.935%0.35356%0.559SS.*EExtended strand (participates in β ladder)trans-98.7127.2175.2-177.6-99.5000110.9G236 V237 Q251 R271G236-Y269 WeakPolarHBondContact CA-O 3.26Å; V237-Y269 PolarHBondContact N-O 2.76Å; V237-Y269 PolarHBondContact O-N 2.01Å; Q251-Y269 HydrophobicContact CB-CE2 4.15Å; Y269-R271 HydrophobicContact CD1-CG 4.46Å; Y269-R271 HydrophobicContact CE1-CG 3.76Å
270F82.7Confident66.9Low69 Ų69119.4 Ų119.430%0.30357%0.574SS.*  trans-113.1119177.8-62.7-87.8000109.6T234 G235 C268 K272T234-F270 VanDerWaalsContact O-CE1 3.26Å; T234-F270 WeakPolarHBondContact O-CE1 3.48Å; G235-F270 WeakPolarHBondContact O-CD1 3.45Å; G235-F270 WeakPolarHBondContact O-CE1 2.97Å; C268-F270 HydrophobicContact CB-CD2 4.47Å; C268-F270 HydrophobicContact CB-CE2 3.63Å; C268-F270 HydrophobicContact CB-CZ 3.99Å; F270-K272 PolarHBondContact O-N 3.01Å
271R70.7Confident67.5Low226 Ų226120.5 Ų120.585%0.85356%0.559SS**  trans-68.4106.6171.6-77.8-174.8172.5-170.5-1.3108.8Y269 K273Y269-R271 HydrophobicContact CD1-CG 4.46Å; Y269-R271 HydrophobicContact CE1-CG 3.76Å; R271-K273 PolarHBondContact O-N 3.34Å
272K62.8Low68Low180 Ų180123.4 Ų123.478%0.78355%0.546SS*.  trans-63.6120.8171.5-74.3-178.4177.4173.40108.9F270 A274F270-K272 PolarHBondContact O-N 3.01Å; K272-A274 PolarHBondContact O-N 3.29Å
273K54.9Low68.6Low205 Ų205121.1 Ų121.189%0.89153%0.533SS*.  trans-60.7121.6161.7-96-179.5174.6177.50107.5R271 R275R271-K273 PolarHBondContact O-N 3.34Å; K273-R275 PolarHBondContact O-N 2.88Å
274A46Very low68.7Low95 Ų95120.2 Ų120.279%0.78553%0.527SS*.  trans-59.8112175.400000109K272 R276K272-A274 PolarHBondContact O-N 3.29Å; A274-R276 PolarHBondContact O-N 3.33Å
275R49.8Very low68.2Low223 Ų223127.5 Ų127.584%0.84255%0.554SS**  trans-70.4110.7166.6-74.5-172.7176.4-172.5-0.9106.6K273 F277K273-R275 PolarHBondContact O-N 2.88Å; R275-F277 PolarHBondContact O-N 3.27Å
276R50Low67Low246 Ų246133.8 Ų133.893%0.92858%0.578SS**  trans-70.5116.6165.1-67.4-171.8-171-176.33.2106.7A274A274-R276 PolarHBondContact O-N 3.33Å
277F43.4Very low65.3Low262 Ų262145.2 Ų145.2100%1.14963%0.627SS**  trans-83.10159.6-80.7-82.9000108.6R275R275-F277 PolarHBondContact O-N 3.27Å

Retrieved 277 of 277 residues in 112.3 ms (Link to these results)